Cas no 102739-39-9 (Cyanamide,(4-ethyl-2-pyrimidinyl)- (9CI))
102739-39-9 structure
Product Name:Cyanamide,(4-ethyl-2-pyrimidinyl)- (9CI)
CAS No:102739-39-9
MF:C7H8N4
MW:148.16522026062
CID:125224
PubChem ID:13608520
Update Time:2025-04-18
Cyanamide,(4-ethyl-2-pyrimidinyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyanamide,(4-ethyl-2-pyrimidinyl)- (9CI)
- Cyanamide, (4-ethyl-2-pyrimidinyl)-
- (4-ethylpyrimidin-2-yl)cyanamide
- DTXSID901293736
- Cyanamide, (4-ethyl-2-pyrimidinyl)- (9CI)
- 102739-39-9
-
- Inchi: 1S/C7H8N4/c1-2-6-3-4-9-7(11-6)10-5-8/h3-4H,2H2,1H3,(H,9,10,11)
- InChI Key: QCFKXHLZRSVWTH-UHFFFAOYSA-N
- SMILES: N1C(NC#N)=NC=CC=1CC
Computed Properties
- Exact Mass: 148.07504
- Monoisotopic Mass: 148.074896272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 159
- 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: 1.4
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 61.6
Cyanamide,(4-ethyl-2-pyrimidinyl)- (9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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