4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C16H15N7O2 — CID 18231342

IUPAC4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCc2ccc(-n3ccnc3)nc2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C16H15N7O2/c1-21-14(12(7-17)15(24)22(2)16(21)25)20-9-11-3-4-13(19-8-11)23-6-5-18-10-23/h3-6,8,10,20H,9H2,1-2H3
InChIKeySARRYKYRTHESIX-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.15
Rot. Bonds4

About 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 18231342) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID18231342
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCc2ccc(-n3ccnc3)nc2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C16H15N7O2/c1-21-14(12(7-17)15(24)22(2)16(21)25)20-9-11-3-4-13(19-8-11)23-6-5-18-10-23/h3-6,8,10,20H,9H2,1-2H3
InChIKeySARRYKYRTHESIX-UHFFFAOYSA-N
XLogP0.15
TPSA110.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202852
1,3-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 133272617
4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133422800
1,3-dimethyl-4-[[4-(3-methylphenyl)phenyl]methylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 133307757
1,3-dimethyl-4-[2-[(1-methylpyrazol-3-yl)amino]ethylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 100710657
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 33427699
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
1-[2-fluoro-6-[(6-imidazol-1-yl-3-pyridinyl)methylamino]phenyl]ethanone
CID 51075157
5-(chloromethyl)-2-imidazol-1-ylpyridine;hydrochloride
CID 50988462
N-[(3,4-dichlorophenyl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 43710546
1-(5-hydroxy-4,4-dimethylpentyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 111504347

Frequently Asked Questions

What is the IUPAC name of 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 18231342) is 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(NCc2ccc(-n3ccnc3)nc2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is SARRYKYRTHESIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-21-14(12(7-17)15(24)22(2)16(21)25)20-9-11-3-4-13(19-8-11)23-6-5-18-10-23/h3-6,8,10,20H,9H2,1-2H3.
What are the key properties of 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 337.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-imidazol-1-yl-3-pyridinyl)methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 18231342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).