7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C19H15N3O — CID 135444983

IUPAC7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1
InChIInChI=1S/C19H15N3O/c1-13-7-9-15(10-8-13)22-11-16(14-5-3-2-4-6-14)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23)
InChIKeyKELRPWLCINPZTR-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.69
Rot. Bonds2

About 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135444983) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135444983
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1
InChIInChI=1S/C19H15N3O/c1-13-7-9-15(10-8-13)22-11-16(14-5-3-2-4-6-14)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23)
InChIKeyKELRPWLCINPZTR-UHFFFAOYSA-N
XLogP3.69
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
6-[2-((E)-Styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135441367
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106
Pyrrolo-pyrimidone, 18
CID 135524108
Pyrrolo-pyrimidone, 12
CID 135524115
Pyrrolo-pyrimidone, 9
CID 135524117
2-Benzyl-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524134
6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
CID 146536490
5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463744
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
N-[3-[6-(3-pyrrolidin-1-ylpropylamino)-3-pyridinyl]phenyl]benzamide
CID 44526802
4-(Benzylamino)-6-({4-[(1-Methylpiperidin-4-Yl)carbamoyl]phenyl}amino)pyridine-3-Carboxamide
CID 131704460

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135444983) is 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1.
What is the InChIKey of 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is KELRPWLCINPZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-7-9-15(10-8-13)22-11-16(14-5-3-2-4-6-14)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23).
What are the key properties of 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 301.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135444983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).