6-(3-methylphenyl)-3H-pteridin-4-one

C13H10N4O — CID 155956896

IUPAC6-(3-methylphenyl)-3H-pteridin-4-one
SMILESCc1cccc(-c2cnc3nc[nH]c(=O)c3n2)c1
InChIInChI=1S/C13H10N4O/c1-8-3-2-4-9(5-8)10-6-14-12-11(17-10)13(18)16-7-15-12/h2-7H,1H3,(H,14,15,16,18)
InChIKeyHKOVHDWBKDBXQJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.69
Rot. Bonds1

About 6-(3-methylphenyl)-3H-pteridin-4-one

6-(3-methylphenyl)-3H-pteridin-4-one (PubChem CID 155956896) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(3-methylphenyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name6-(3-methylphenyl)-3H-pteridin-4-one
PubChem CID155956896
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name6-(3-methylphenyl)-3H-pteridin-4-one
SMILESCc1cccc(-c2cnc3nc[nH]c(=O)c3n2)c1
InChIInChI=1S/C13H10N4O/c1-8-3-2-4-9(5-8)10-6-14-12-11(17-10)13(18)16-7-15-12/h2-7H,1H3,(H,14,15,16,18)
InChIKeyHKOVHDWBKDBXQJ-UHFFFAOYSA-N
XLogP1.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-3H-pteridin-4-one?
The IUPAC name of 6-(3-methylphenyl)-3H-pteridin-4-one (CID 155956896) is 6-(3-methylphenyl)-3H-pteridin-4-one.
What is the SMILES notation for 6-(3-methylphenyl)-3H-pteridin-4-one?
The canonical SMILES for 6-(3-methylphenyl)-3H-pteridin-4-one is Cc1cccc(-c2cnc3nc[nH]c(=O)c3n2)c1.
What is the InChIKey of 6-(3-methylphenyl)-3H-pteridin-4-one?
The InChIKey is HKOVHDWBKDBXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-8-3-2-4-9(5-8)10-6-14-12-11(17-10)13(18)16-7-15-12/h2-7H,1H3,(H,14,15,16,18).
What are the key properties of 6-(3-methylphenyl)-3H-pteridin-4-one?
6-(3-methylphenyl)-3H-pteridin-4-one has a molecular weight of 238.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-3H-pteridin-4-one is sourced from PubChem (CID 155956896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).