2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile

C15H13N7 — CID 169396407

IUPAC2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H13N7/c16-8-12-13(20-15(18)21-14(12)17)11-4-2-10(3-5-11)9-22-7-1-6-19-22/h1-7H,9H2,(H4,17,18,20,21)
InChIKeyRZGGHGVFYNMMBK-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.42
Rot. Bonds3

About 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile (PubChem CID 169396407) has the molecular formula C15H13N7 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile
PubChem CID169396407
Molecular FormulaC15H13N7
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H13N7/c16-8-12-13(20-15(18)21-14(12)17)11-4-2-10(3-5-11)9-22-7-1-6-19-22/h1-7H,9H2,(H4,17,18,20,21)
InChIKeyRZGGHGVFYNMMBK-UHFFFAOYSA-N
XLogP1.42
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diamino-6-[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169397903
2,4-diamino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396460
2,4-diamino-6-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyrimidine-5-carbonitrile
CID 169396639
2,4-diamino-6-[4-(4-ethylphenoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398736
3-amino-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carbonitrile
CID 118482125
2,4-diamino-6-[4-[[butyl(methyl)amino]methyl]phenyl]pyrimidine-5-carbonitrile
CID 169396683
2,4-diamino-6-[4-(2-cyano-3-pyridinyl)phenyl]pyrimidine-5-carbonitrile
CID 169397299
2,4-diamino-6-[4-(2-chloroethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396266
6-acetyl-2-amino-4-[4-(pyrazol-1-ylmethyl)phenyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 169413678
2,4-diamino-6-[3-(thiomorpholin-4-ylmethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396517
2,4-diamino-6-(4-butylsulfanylphenyl)pyrimidine-5-carbonitrile
CID 169396556
2,4-diamino-6-[3-(bromomethyl)-4-fluorophenyl]pyrimidine-5-carbonitrile
CID 169398795

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile (CID 169396407) is 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is RZGGHGVFYNMMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7/c16-8-12-13(20-15(18)21-14(12)17)11-4-2-10(3-5-11)9-22-7-1-6-19-22/h1-7H,9H2,(H4,17,18,20,21).
What are the key properties of 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 291.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).