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

C19H15N3O — CID 158755059

IUPAC5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)c1
InChIInChI=1S/C19H15N3O/c1-13-6-5-7-14(10-13)16-11-22(15-8-3-2-4-9-15)18-17(16)19(23)21-12-20-18/h2-12H,1H3,(H,20,21,23)
InChIKeyQWMHPTYNUIXFTO-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.69
Rot. Bonds2

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

5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 158755059) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID158755059
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)c1
InChIInChI=1S/C19H15N3O/c1-13-6-5-7-14(10-13)16-11-22(15-8-3-2-4-9-15)18-17(16)19(23)21-12-20-18/h2-12H,1H3,(H,20,21,23)
InChIKeyQWMHPTYNUIXFTO-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 158755059) is 5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1cccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)c1.
What is the InChIKey of 5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is QWMHPTYNUIXFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-13-6-5-7-14(10-13)16-11-22(15-8-3-2-4-9-15)18-17(16)19(23)21-12-20-18/h2-12H,1H3,(H,20,21,23).
What are the key properties of 5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5-(3-methylphenyl)-7-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 5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 158755059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).