5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

C22H21N3O — CID 135493493

IUPAC5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C22H21N3O/c1-14-15(2)25(16(3)17-10-6-4-7-11-17)21-19(14)22(26)24-20(23-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H,23,24,26)/t16-/m1/s1
InChIKeyPBKMOEOUERQYOC-MRXNPFEDSA-N
MW343.43 g/mol
LogP4.62
Rot. Bonds3

About 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135493493) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135493493
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C22H21N3O/c1-14-15(2)25(16(3)17-10-6-4-7-11-17)21-19(14)22(26)24-20(23-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H,23,24,26)/t16-/m1/s1
InChIKeyPBKMOEOUERQYOC-MRXNPFEDSA-N
XLogP4.62
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

Pyrrolo-pyrimidone, 12
CID 135524115
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463744
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
Pyrrolo-pyrimidone, 13
CID 135524133
N-cyclohexyl-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 852301
1-benzyl-N-[(4-carbamimidoylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 24856467
7-(4-Fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-ol
CID 135500640
9-Phenyl-9H-1,3,9-triaza-fluoren-4-ol
CID 136044063
9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluoren-4-ol
CID 136056551
7-(4-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135444983
N-(2-cyclohex-1-en-1-ylethyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3242584

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135493493) is 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is PBKMOEOUERQYOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21N3O/c1-14-15(2)25(16(3)17-10-6-4-7-11-17)21-19(14)22(26)24-20(23-21)18-12-8-5-9-13-18/h4-13,16H,1-3H3,(H,23,24,26)/t16-/m1/s1.
What are the key properties of 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 343.43 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-phenyl-7-[(1R)-1-phenylethyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135493493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).