Cas no 1850-97-1 (4(3H)-Pyrimidinone,6-hydroxy-2-(hydroxymethyl)-5-methyl-)
1850-97-1 structure
Product Name:4(3H)-Pyrimidinone,6-hydroxy-2-(hydroxymethyl)-5-methyl-
CAS No:1850-97-1
MF:C6H8N2O3
MW:156.139321327209
CID:231950
PubChem ID:237016
Update Time:2025-04-19
4(3H)-Pyrimidinone,6-hydroxy-2-(hydroxymethyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,6-hydroxy-2-(hydroxymethyl)-5-methyl-
- 2-hydroxymethyl-5-methyl-1H-pyrimidine-4,6-dione
- 2-Pyrimidinemethanol,4,6-dihydroxy-5-methyl- (7CI,8CI)
- 4,6-Dihydroxy-5-methyl-2-pyrimidin-methanol
- 6-hydroxy-2-(hydroxymethyl)-5-methylpyrimidin-4(3h)-one
- AC1L5XVT
- AC1Q6BPD
- AG-K-74270
- AR-1H1837
- CTK4D8917
- NSC40215
- NSC-40215
- 1850-97-1
- SCHEMBL14434348
- DTXSID70285009
-
- Inchi： 1S/C6H8N2O3/c1-3-5(10)7-4(2-9)8-6(3)11/h9H,2H2,1H3,(H2,7,8,10,11)
- InChI Key： WSYBETKDEBLEHW-UHFFFAOYSA-N
- SMILES： OC1=C(C)C(NC(CO)=N1)=O
Computed Properties
- Exact Mass: 156.05354
- Monoisotopic Mass: 156.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 81.9?2
Experimental Properties
- Density: 1.54
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.634
- PSA: 81.92
- LogP: -0.72380
4(3H)-Pyrimidinone,6-hydroxy-2-(hydroxymethyl)-5-methyl- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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