3-[(2-methylphenyl)methyl]pteridin-4-one

C14H12N4O — CID 39826329

IUPAC3-[(2-methylphenyl)methyl]pteridin-4-one
SMILESCc1ccccc1Cn1cnc2nccnc2c1=O
InChIInChI=1S/C14H12N4O/c1-10-4-2-3-5-11(10)8-18-9-17-13-12(14(18)19)15-6-7-16-13/h2-7,9H,8H2,1H3
InChIKeyIWRQQZKYGLINMB-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.54
Rot. Bonds2

About 3-[(2-methylphenyl)methyl]pteridin-4-one

3-[(2-methylphenyl)methyl]pteridin-4-one (PubChem CID 39826329) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]pteridin-4-one.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]pteridin-4-one
PubChem CID39826329
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-[(2-methylphenyl)methyl]pteridin-4-one
SMILESCc1ccccc1Cn1cnc2nccnc2c1=O
InChIInChI=1S/C14H12N4O/c1-10-4-2-3-5-11(10)8-18-9-17-13-12(14(18)19)15-6-7-16-13/h2-7,9H,8H2,1H3
InChIKeyIWRQQZKYGLINMB-UHFFFAOYSA-N
XLogP1.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pteridin-4-one
CID 39791201
5,6-dichloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582920
3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22334920
3-[(2-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 53331732
6-chloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582051
6-bromo-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 7488391
3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one
CID 30462724
3-(3-chlorophenyl)-6-[(2-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869662
3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
7-(3-chlorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 30849827
7-(3-fluorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 30849287
5-(4-bromophenyl)-3-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 7674391

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]pteridin-4-one?
The IUPAC name of 3-[(2-methylphenyl)methyl]pteridin-4-one (CID 39826329) is 3-[(2-methylphenyl)methyl]pteridin-4-one.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]pteridin-4-one?
The canonical SMILES for 3-[(2-methylphenyl)methyl]pteridin-4-one is Cc1ccccc1Cn1cnc2nccnc2c1=O.
What is the InChIKey of 3-[(2-methylphenyl)methyl]pteridin-4-one?
The InChIKey is IWRQQZKYGLINMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10-4-2-3-5-11(10)8-18-9-17-13-12(14(18)19)15-6-7-16-13/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methyl]pteridin-4-one?
3-[(2-methylphenyl)methyl]pteridin-4-one has a molecular weight of 252.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]pteridin-4-one is sourced from PubChem (CID 39826329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).