4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine

C19H16N4O — CID 45270066

IUPAC4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H16N4O/c1-24-13-6-4-5-12(9-13)15-10-22-19(20)23-18(15)16-11-21-17-8-3-2-7-14(16)17/h2-11,21H,1H3,(H2,20,22,23)
InChIKeySXTHIGQEJGIFGG-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.88
Rot. Bonds3

About 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine

4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 45270066) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID45270066
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H16N4O/c1-24-13-6-4-5-12(9-13)15-10-22-19(20)23-18(15)16-11-21-17-8-3-2-7-14(16)17/h2-11,21H,1H3,(H2,20,22,23)
InChIKeySXTHIGQEJGIFGG-UHFFFAOYSA-N
XLogP3.88
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)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)-5-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine (CID 45270066) is 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine is COc1cccc(-c2cnc(N)nc2-c2c[nH]c3ccccc23)c1.
What is the InChIKey of 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is SXTHIGQEJGIFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-13-6-4-5-12(9-13)15-10-22-19(20)23-18(15)16-11-21-17-8-3-2-7-14(16)17/h2-11,21H,1H3,(H2,20,22,23).
What are the key properties of 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 45270066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).