2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one

C20H16FN5O — CID 3233535

IUPAC2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one
SMILESCc1nc2cnc(Nc3ccccc3)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H16FN5O/c1-13-19(27)26(12-14-7-9-15(21)10-8-14)18-17(23-13)11-22-20(25-18)24-16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,22,24,25)
InChIKeyUZJZTTGUJNFDOI-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.43
Rot. Bonds4

About 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one

2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one (PubChem CID 3233535) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one.

Molecular Properties

Compound Name2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one
PubChem CID3233535
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one
SMILESCc1nc2cnc(Nc3ccccc3)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H16FN5O/c1-13-19(27)26(12-14-7-9-15(21)10-8-14)18-17(23-13)11-22-20(25-18)24-16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,22,24,25)
InChIKeyUZJZTTGUJNFDOI-UHFFFAOYSA-N
XLogP3.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one?
The IUPAC name of 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one (CID 3233535) is 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one.
What is the SMILES notation for 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one?
The canonical SMILES for 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one is Cc1nc2cnc(Nc3ccccc3)nc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one?
The InChIKey is UZJZTTGUJNFDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-13-19(27)26(12-14-7-9-15(21)10-8-14)18-17(23-13)11-22-20(25-18)24-16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,22,24,25).
What are the key properties of 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one?
2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one has a molecular weight of 361.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one is sourced from PubChem (CID 3233535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).