6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one

C13H13N3O — CID 91123494

IUPAC6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=NC2N=C(c3ccccc3)NC(=O)C2C1
InChIInChI=1S/C13H13N3O/c1-8-7-10-12(14-8)15-11(16-13(10)17)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,15,16,17)
InChIKeyINWAWGGRQANBMI-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.37
Rot. Bonds1

About 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one

6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 91123494) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID91123494
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCC1=NC2N=C(c3ccccc3)NC(=O)C2C1
InChIInChI=1S/C13H13N3O/c1-8-7-10-12(14-8)15-11(16-13(10)17)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,15,16,17)
InChIKeyINWAWGGRQANBMI-UHFFFAOYSA-N
XLogP1.37
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one (CID 91123494) is 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one is CC1=NC2N=C(c3ccccc3)NC(=O)C2C1.
What is the InChIKey of 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is INWAWGGRQANBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-7-10-12(14-8)15-11(16-13(10)17)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,15,16,17).
What are the key properties of 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 227.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-3,4a,5,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 91123494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).