6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one

C20H23FN4O2 — CID 146212489

IUPAC6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCC(C)CCOc1ccc(F)cc1CN(C)c1ccc2nc[nH]c(=O)c2n1
InChIInChI=1S/C20H23FN4O2/c1-13(2)8-9-27-17-6-4-15(21)10-14(17)11-25(3)18-7-5-16-19(24-18)20(26)23-12-22-16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,22,23,26)
InChIKeyAXOVAVBZOFHBGH-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.52
Rot. Bonds7

About 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one

6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 146212489) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID146212489
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCC(C)CCOc1ccc(F)cc1CN(C)c1ccc2nc[nH]c(=O)c2n1
InChIInChI=1S/C20H23FN4O2/c1-13(2)8-9-27-17-6-4-15(21)10-14(17)11-25(3)18-7-5-16-19(24-18)20(26)23-12-22-16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,22,23,26)
InChIKeyAXOVAVBZOFHBGH-UHFFFAOYSA-N
XLogP3.52
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one (CID 146212489) is 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one is CC(C)CCOc1ccc(F)cc1CN(C)c1ccc2nc[nH]c(=O)c2n1.
What is the InChIKey of 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is AXOVAVBZOFHBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-13(2)8-9-27-17-6-4-15(21)10-14(17)11-25(3)18-7-5-16-19(24-18)20(26)23-12-22-16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,22,23,26).
What are the key properties of 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one?
6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 370.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-fluoro-2-(3-methylbutoxy)phenyl]methyl-methylamino]-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146212489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).