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

C21H17FN4O2 — CID 3233195

IUPAC8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one
SMILESCc1nc2cnc(OCc3ccccc3)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H17FN4O2/c1-14-20(27)26(12-15-7-9-17(22)10-8-15)19-18(24-14)11-23-21(25-19)28-13-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3
InChIKeyBDCOBESMGKKMHR-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.26
Rot. Bonds5

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

8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one (PubChem CID 3233195) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one
PubChem CID3233195
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one
SMILESCc1nc2cnc(OCc3ccccc3)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H17FN4O2/c1-14-20(27)26(12-15-7-9-17(22)10-8-15)19-18(24-14)11-23-21(25-19)28-13-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3
InChIKeyBDCOBESMGKKMHR-UHFFFAOYSA-N
XLogP3.26
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one (CID 3233195) is 8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one is Cc1nc2cnc(OCc3ccccc3)nc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one?
The InChIKey is BDCOBESMGKKMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-14-20(27)26(12-15-7-9-17(22)10-8-15)19-18(24-14)11-23-21(25-19)28-13-16-5-3-2-4-6-16/h2-11H,12-13H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one?
8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one has a molecular weight of 376.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one is sourced from PubChem (CID 3233195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).