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Home > Pyridines > 341966-23-2
341966-23-2 | 2,4-dioxo-1-[(pyridin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS No: 341966-23-2 Catalog No: AG00IN1X MDL No:MFCD00974184
Product Description
Catalog Number:
AG00IN1X
Chemical Name:
2,4-dioxo-1-[(pyridin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS Number:
341966-23-2
Molecular Formula:
C11H8N4O2
Molecular Weight:
228.2068
MDL Number:
MFCD00974184
IUPAC Name:
2,4-dioxo-1-(pyridin-4-ylmethyl)pyrimidine-5-carbonitrile
InChI:
InChI=1S/C11H8N4O2/c12-5-9-7-15(11(17)14-10(9)16)6-8-1-3-13-4-2-8/h1-4,7H,6H2,(H,14,16,17)
InChI Key:
XFMRRBNJTBAMOV-UHFFFAOYSA-N
SMILES:
N#Cc1cn(Cc2ccncc2)c(=O)[nH]c1=O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.211g/mol
Monoisotopic Mass:
228.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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