4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine

C23H22N6 — CID 143605466

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C23H22N6/c1-15-14-24-23(27-22(15)26-21-13-20(28-29-21)17-11-12-17)25-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-10,13-14,17H,11-12H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyKGMDHSXTRODWOF-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.54
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine (PubChem CID 143605466) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine
PubChem CID143605466
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccccc2-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C23H22N6/c1-15-14-24-23(27-22(15)26-21-13-20(28-29-21)17-11-12-17)25-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-10,13-14,17H,11-12H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyKGMDHSXTRODWOF-UHFFFAOYSA-N
XLogP5.54
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine (CID 143605466) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine is Cc1cnc(Nc2ccccc2-c2ccccc2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine?
The InChIKey is KGMDHSXTRODWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-15-14-24-23(27-22(15)26-21-13-20(28-29-21)17-11-12-17)25-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-10,13-14,17H,11-12H2,1H3,(H3,24,25,26,27,28,29).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine has a molecular weight of 382.47 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 143605466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).