7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine

C27H23N3 — CID 102144913

IUPAC7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine
SMILESCc1cccc(-c2ncnc3c2c(-c2ccccc2C)c(-c2ccccc2)n3C)c1
InChIInChI=1S/C27H23N3/c1-18-10-9-14-21(16-18)25-24-23(22-15-8-7-11-19(22)2)26(20-12-5-4-6-13-20)30(3)27(24)29-17-28-25/h4-17H,1-3H3
InChIKeyOOULLYSUHBWLIO-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.59
Rot. Bonds3

About 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine

7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 102144913) has the molecular formula C27H23N3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID102144913
Molecular FormulaC27H23N3
Molecular Weight389.50 g/mol
Exact Mass389.19
IUPAC Name7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine
SMILESCc1cccc(-c2ncnc3c2c(-c2ccccc2C)c(-c2ccccc2)n3C)c1
InChIInChI=1S/C27H23N3/c1-18-10-9-14-21(16-18)25-24-23(22-15-8-7-11-19(22)2)26(20-12-5-4-6-13-20)30(3)27(24)29-17-28-25/h4-17H,1-3H3
InChIKeyOOULLYSUHBWLIO-UHFFFAOYSA-N
XLogP6.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[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 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine (CID 102144913) is 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine is Cc1cccc(-c2ncnc3c2c(-c2ccccc2C)c(-c2ccccc2)n3C)c1.
What is the InChIKey of 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is OOULLYSUHBWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3/c1-18-10-9-14-21(16-18)25-24-23(22-15-8-7-11-19(22)2)26(20-12-5-4-6-13-20)30(3)27(24)29-17-28-25/h4-17H,1-3H3.
What are the key properties of 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine?
7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 389.50 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(2-methylphenyl)-4-(3-methylphenyl)-6-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 102144913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).