6,7-dimethyl-4-phenyl-3H-pteridin-2-one

C14H12N4O — CID 131856544

IUPAC6,7-dimethyl-4-phenyl-3H-pteridin-2-one
SMILESCc1nc2nc(=O)[nH]c(-c3ccccc3)c2nc1C
InChIInChI=1S/C14H12N4O/c1-8-9(2)16-13-12(15-8)11(17-14(19)18-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17,18,19)
InChIKeyVEDDKUYKCDTKGX-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.00
Rot. Bonds1

About 6,7-dimethyl-4-phenyl-3H-pteridin-2-one

6,7-dimethyl-4-phenyl-3H-pteridin-2-one (PubChem CID 131856544) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 6,7-dimethyl-4-phenyl-3H-pteridin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-4-phenyl-3H-pteridin-2-one
PubChem CID131856544
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name6,7-dimethyl-4-phenyl-3H-pteridin-2-one
SMILESCc1nc2nc(=O)[nH]c(-c3ccccc3)c2nc1C
InChIInChI=1S/C14H12N4O/c1-8-9(2)16-13-12(15-8)11(17-14(19)18-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17,18,19)
InChIKeyVEDDKUYKCDTKGX-UHFFFAOYSA-N
XLogP2.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
CID 632724
4,6-diphenyl-1H-1,3,5-triazin-2-one
CID 135427225
5-anilino-4,6-diphenyl-1H-pyrimidin-2-one
CID 134912807
6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one
CID 135552035
ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione
CID 121221963
6-methoxy-5-methyl-3-phenyl-1H-pyrazin-2-one
CID 10536676
4-phenyl-6-propyl-1H-1,3,5-triazin-2-one
CID 156780121
but-2-yne;ethane;6-methyl-4-phenyl-1H-1,3,5-triazin-2-one
CID 162031267
4-amino-6-methyl-2-phenyl-8H-pteridin-7-one
CID 125495567
6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one
CID 110181275
3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761039

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-phenyl-3H-pteridin-2-one?
The IUPAC name of 6,7-dimethyl-4-phenyl-3H-pteridin-2-one (CID 131856544) is 6,7-dimethyl-4-phenyl-3H-pteridin-2-one.
What is the SMILES notation for 6,7-dimethyl-4-phenyl-3H-pteridin-2-one?
The canonical SMILES for 6,7-dimethyl-4-phenyl-3H-pteridin-2-one is Cc1nc2nc(=O)[nH]c(-c3ccccc3)c2nc1C.
What is the InChIKey of 6,7-dimethyl-4-phenyl-3H-pteridin-2-one?
The InChIKey is VEDDKUYKCDTKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-8-9(2)16-13-12(15-8)11(17-14(19)18-13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,16,17,18,19).
What are the key properties of 6,7-dimethyl-4-phenyl-3H-pteridin-2-one?
6,7-dimethyl-4-phenyl-3H-pteridin-2-one has a molecular weight of 252.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-phenyl-3H-pteridin-2-one is sourced from PubChem (CID 131856544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).