N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine

C16H14N4 — CID 14722174

IUPACN-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H14N4/c1-12-5-4-6-13(11-12)19-16-18-10-8-15(20-16)14-7-2-3-9-17-14/h2-11H,1H3,(H,18,19,20)
InChIKeyCAHPFRLJALZKBU-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.59
Rot. Bonds3

About N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine

N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 14722174) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID14722174
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC NameN-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H14N4/c1-12-5-4-6-13(11-12)19-16-18-10-8-15(20-16)14-7-2-3-9-17-14/h2-11H,1H3,(H,18,19,20)
InChIKeyCAHPFRLJALZKBU-UHFFFAOYSA-N
XLogP3.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine (CID 14722174) is N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3ccccn3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is CAHPFRLJALZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-12-5-4-6-13(11-12)19-16-18-10-8-15(20-16)14-7-2-3-9-17-14/h2-11H,1H3,(H,18,19,20).
What are the key properties of N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine?
N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 14722174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).