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

C15H16N6 — CID 141443854

IUPAC2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(Nc3ccccc3C)n2)n[nH]1
InChIInChI=1S/C15H16N6/c1-10-5-3-4-6-12(10)17-15-16-8-7-13(19-15)18-14-9-11(2)20-21-14/h3-9H,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyJBDPLQGQPHBNMV-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.30
Rot. Bonds4

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

2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 141443854) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID141443854
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(Nc3ccccc3C)n2)n[nH]1
InChIInChI=1S/C15H16N6/c1-10-5-3-4-6-12(10)17-15-16-8-7-13(19-15)18-14-9-11(2)20-21-14/h3-9H,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyJBDPLQGQPHBNMV-UHFFFAOYSA-N
XLogP3.30
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 141443854) is 2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccnc(Nc3ccccc3C)n2)n[nH]1.
What is the InChIKey of 2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is JBDPLQGQPHBNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-10-5-3-4-6-12(10)17-15-16-8-7-13(19-15)18-14-9-11(2)20-21-14/h3-9H,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 280.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141443854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).