2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine

C16H16ClN7 — CID 59758138

IUPAC2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine
SMILESNc1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H16ClN7/c17-10-3-1-2-4-12(10)20-16-19-8-11(18)15(22-16)21-14-7-13(23-24-14)9-5-6-9/h1-4,7-9H,5-6,18H2,(H3,19,20,21,22,23,24)
InChIKeyYHWVXNNNYCXXRR-UHFFFAOYSA-N
MW341.81 g/mol
LogP3.80
Rot. Bonds5

About 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine

2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine (PubChem CID 59758138) has the molecular formula C16H16ClN7 and a molecular weight of 341.81 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine
PubChem CID59758138
Molecular FormulaC16H16ClN7
Molecular Weight341.81 g/mol
Exact Mass341.12
IUPAC Name2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine
SMILESNc1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H16ClN7/c17-10-3-1-2-4-12(10)20-16-19-8-11(18)15(22-16)21-14-7-13(23-24-14)9-5-6-9/h1-4,7-9H,5-6,18H2,(H3,19,20,21,22,23,24)
InChIKeyYHWVXNNNYCXXRR-UHFFFAOYSA-N
XLogP3.80
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine
CID 143605466
5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 68602988
2-N-(3-aminophenyl)-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 11501911
N-benzyl-2-(2-chloroanilino)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidine-4-carboxamide
CID 59758067
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2,4-dibromophenyl)pyrimidine-2,4-diamine
CID 59758113
5-bromo-2-N-(3-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59757961
2-N-(4-chloro-2-methylphenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-oxidopyrimidine-2,4,5-triamine
CID 143702076
4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 58169209
5-bromo-2-N-(2-bromo-4-fluorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59758133
5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
CID 50943216
2-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetonitrile
CID 58169245
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 59758147

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine (CID 59758138) is 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine is Nc1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine?
The InChIKey is YHWVXNNNYCXXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7/c17-10-3-1-2-4-12(10)20-16-19-8-11(18)15(22-16)21-14-7-13(23-24-14)9-5-6-9/h1-4,7-9H,5-6,18H2,(H3,19,20,21,22,23,24).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine?
2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine has a molecular weight of 341.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 59758138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).