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

C18H18FN5O2 — CID 3235236

IUPAC8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
SMILESCc1nc2cnc(N3CCOCC3)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H18FN5O2/c1-12-17(25)24(11-13-2-4-14(19)5-3-13)16-15(21-12)10-20-18(22-16)23-6-8-26-9-7-23/h2-5,10H,6-9,11H2,1H3
InChIKeyTVMMUPCWDMSACV-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.52
Rot. Bonds3

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

8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one (PubChem CID 3235236) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
PubChem CID3235236
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
SMILESCc1nc2cnc(N3CCOCC3)nc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H18FN5O2/c1-12-17(25)24(11-13-2-4-14(19)5-3-13)16-15(21-12)10-20-18(22-16)23-6-8-26-9-7-23/h2-5,10H,6-9,11H2,1H3
InChIKeyTVMMUPCWDMSACV-UHFFFAOYSA-N
XLogP1.52
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.52
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-morpholin-4-ylpteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one (CID 3235236) is 8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one is Cc1nc2cnc(N3CCOCC3)nc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one?
The InChIKey is TVMMUPCWDMSACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-12-17(25)24(11-13-2-4-14(19)5-3-13)16-15(21-12)10-20-18(22-16)23-6-8-26-9-7-23/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one?
8-[(4-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one has a molecular weight of 355.37 g/mol, XLogP of 1.52, 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-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3235236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).