4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine

C19H16N4 — CID 15653057

IUPAC4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C19H16N4/c1-13-5-4-6-14(11-13)22-19-20-10-9-18(23-19)16-12-21-17-8-3-2-7-15(16)17/h2-12,21H,1H3,(H,20,22,23)
InChIKeySXECPSYATJXFOJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.68
Rot. Bonds3

About 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine

4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 15653057) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID15653057
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C19H16N4/c1-13-5-4-6-14(11-13)22-19-20-10-9-18(23-19)16-12-21-17-8-3-2-7-15(16)17/h2-12,21H,1H3,(H,20,22,23)
InChIKeySXECPSYATJXFOJ-UHFFFAOYSA-N
XLogP4.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine (CID 15653057) is 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is SXECPSYATJXFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-5-4-6-14(11-13)22-19-20-10-9-18(23-19)16-12-21-17-8-3-2-7-15(16)17/h2-12,21H,1H3,(H,20,22,23).
What are the key properties of 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 15653057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).