8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

C19H21FN6O — CID 3233255

IUPAC8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H21FN6O/c1-13-18(27)26(12-14-3-5-15(20)6-4-14)17-16(22-13)11-21-19(23-17)25-9-7-24(2)8-10-25/h3-6,11H,7-10,12H2,1-2H3
InChIKeySVGZWEOWJRGOMB-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.43
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (PubChem CID 3233255) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
PubChem CID3233255
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H21FN6O/c1-13-18(27)26(12-14-3-5-15(20)6-4-14)17-16(22-13)11-21-19(23-17)25-9-7-24(2)8-10-25/h3-6,11H,7-10,12H2,1-2H3
InChIKeySVGZWEOWJRGOMB-UHFFFAOYSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (CID 3233255) is 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is Cc1nc2cnc(N3CCN(C)CC3)nc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The InChIKey is SVGZWEOWJRGOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-13-18(27)26(12-14-3-5-15(20)6-4-14)17-16(22-13)11-21-19(23-17)25-9-7-24(2)8-10-25/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one has a molecular weight of 368.42 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is sourced from PubChem (CID 3233255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).