4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C19H21N3O2 — CID 53193711

IUPAC4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ccc(-c2nc(C)c3c(n2)N(CC2CCCO2)C(=O)C3)cc1
InChIInChI=1S/C19H21N3O2/c1-12-5-7-14(8-6-12)18-20-13(2)16-10-17(23)22(19(16)21-18)11-15-4-3-9-24-15/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyAUTXLNCZINAITR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.83
Rot. Bonds3

About 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 53193711) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID53193711
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ccc(-c2nc(C)c3c(n2)N(CC2CCCO2)C(=O)C3)cc1
InChIInChI=1S/C19H21N3O2/c1-12-5-7-14(8-6-12)18-20-13(2)16-10-17(23)22(19(16)21-18)11-15-4-3-9-24-15/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyAUTXLNCZINAITR-UHFFFAOYSA-N
XLogP2.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one 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-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 53193711) is 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1ccc(-c2nc(C)c3c(n2)N(CC2CCCO2)C(=O)C3)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is AUTXLNCZINAITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-5-7-14(8-6-12)18-20-13(2)16-10-17(23)22(19(16)21-18)11-15-4-3-9-24-15/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 323.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-7-(oxolan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 53193711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).