Cas no 1150645-33-2 (4-Pyrimidinecarboxylic acid, 2-(ethylmethylamino)-6-methyl-)
1150645-33-2 structure
Product Name:4-Pyrimidinecarboxylic acid, 2-(ethylmethylamino)-6-methyl-
CAS No:1150645-33-2
MF:C9H13N3O2
MW:195.218421697617
CID:2150940
Update Time:2023-11-19
4-Pyrimidinecarboxylic acid, 2-(ethylmethylamino)-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-(ethylmethylamino)-6-methyl-4-Pyrimidinecarboxylic acid
- 2-[ethyl(methyl)amino]-6-methylpyrimidine-4-carboxylic acid
- CID 66933578
- 4-Pyrimidinecarboxylic acid, 2-(ethylmethylamino)-6-methyl-
-
- Inchi： 1S/C9H13N3O2/c1-4-12(3)9-10-6(2)5-7(11-9)8(13)14/h5H,4H2,1-3H3,(H,13,14)
- InChI Key： CKACXDTXNIMURM-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C)N=C(N=1)N(C)CC)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 210
- Topological Polar Surface Area: 66.3
Experimental Properties
- Density: 1.226±0.06 g/cm3(Predicted)
- Boiling Point: 375.6±34.0 °C(Predicted)
- pka: 1.59±0.10(Predicted)
4-Pyrimidinecarboxylic acid, 2-(ethylmethylamino)-6-methyl- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
1150645-33-2 (4-Pyrimidinecarboxylic acid, 2-(ethylmethylamino)-6-methyl-) Related Products
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