2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine

C13H11N3 — CID 140914955

IUPAC2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(-c2ccccc2)c2cc[nH]c2n1
InChIInChI=1S/C13H11N3/c1-9-15-12(10-5-3-2-4-6-10)11-7-8-14-13(11)16-9/h2-8H,1H3,(H,14,15,16)
InChIKeyJLZRKHAYHSUYLI-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.93
Rot. Bonds1

About 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine

2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 140914955) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID140914955
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(-c2ccccc2)c2cc[nH]c2n1
InChIInChI=1S/C13H11N3/c1-9-15-12(10-5-3-2-4-6-10)11-7-8-14-13(11)16-9/h2-8H,1H3,(H,14,15,16)
InChIKeyJLZRKHAYHSUYLI-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine 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-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine (CID 140914955) is 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1nc(-c2ccccc2)c2cc[nH]c2n1.
What is the InChIKey of 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is JLZRKHAYHSUYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-15-12(10-5-3-2-4-6-10)11-7-8-14-13(11)16-9/h2-8H,1H3,(H,14,15,16).
What are the key properties of 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 209.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 140914955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).