2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C19H16N4 — CID 10590336

IUPAC2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C19H16N4/c1-13-20-17-12-16(14-8-4-2-5-9-14)23-18(17)19(21-13)22-15-10-6-3-7-11-15/h2-12,23H,1H3,(H,20,21,22)
InChIKeyHDLPVGHOVBWOPQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.68
Rot. Bonds3

About 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine

2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 10590336) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID10590336
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C19H16N4/c1-13-20-17-12-16(14-8-4-2-5-9-14)23-18(17)19(21-13)22-15-10-6-3-7-11-15/h2-12,23H,1H3,(H,20,21,22)
InChIKeyHDLPVGHOVBWOPQ-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 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-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 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 10590336) is 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine is Cc1nc(Nc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is HDLPVGHOVBWOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-20-17-12-16(14-8-4-2-5-9-14)23-18(17)19(21-13)22-15-10-6-3-7-11-15/h2-12,23H,1H3,(H,20,21,22).
What are the key properties of 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-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 2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10590336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).