6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one

C15H12F2N4O2 — CID 3232695

IUPAC6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(F)c(F)c2)nc2cncnc21
InChIInChI=1S/C15H12F2N4O2/c1-23-5-4-21-14-12(7-18-8-19-14)20-13(15(21)22)9-2-3-10(16)11(17)6-9/h2-3,6-8H,4-5H2,1H3
InChIKeyHODHKPFRNOKKDO-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.78
Rot. Bonds4

About 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one

6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one (PubChem CID 3232695) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one
PubChem CID3232695
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(F)c(F)c2)nc2cncnc21
InChIInChI=1S/C15H12F2N4O2/c1-23-5-4-21-14-12(7-18-8-19-14)20-13(15(21)22)9-2-3-10(16)11(17)6-9/h2-3,6-8H,4-5H2,1H3
InChIKeyHODHKPFRNOKKDO-UHFFFAOYSA-N
XLogP1.78
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one?
The IUPAC name of 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one (CID 3232695) is 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one is COCCn1c(=O)c(-c2ccc(F)c(F)c2)nc2cncnc21.
What is the InChIKey of 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one?
The InChIKey is HODHKPFRNOKKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c1-23-5-4-21-14-12(7-18-8-19-14)20-13(15(21)22)9-2-3-10(16)11(17)6-9/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one?
6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one has a molecular weight of 318.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-8-(2-methoxyethyl)pteridin-7-one is sourced from PubChem (CID 3232695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).