3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H16FN3O2 — CID 103483624

IUPAC3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cccc(Cn2cnc3c(c2=O)CCNC3)c1F
InChIInChI=1S/C15H16FN3O2/c1-21-13-4-2-3-10(14(13)16)8-19-9-18-12-7-17-6-5-11(12)15(19)20/h2-4,9,17H,5-8H2,1H3
InChIKeyULIQSSOZGQHEIZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.09
Rot. Bonds3

About 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483624) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483624
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cccc(Cn2cnc3c(c2=O)CCNC3)c1F
InChIInChI=1S/C15H16FN3O2/c1-21-13-4-2-3-10(14(13)16)8-19-9-18-12-7-17-6-5-11(12)15(19)20/h2-4,9,17H,5-8H2,1H3
InChIKeyULIQSSOZGQHEIZ-UHFFFAOYSA-N
XLogP1.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Benzyl-2-[(3-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383001
2-(Benzylamino)-6-[(3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 177383024
4,5-dimethyl-2-[[(Z)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-6-one
CID 135483993
N-[(4-fluoro-3-methoxy-phenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717561
2-(4-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(4-methoxyphenethyl)acetamide
CID 25884724
2-(4-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(2-methoxyphenethyl)acetamide
CID 25884736
2-(4-(4-ethoxyphenyl)-6-oxopyrimidin-1(6H)-yl)-N-(4-fluorobenzyl)acetamide
CID 25885276
2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-(2-(trifluoromethoxy)benzyl)acetamide
CID 49675572
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(3-methoxybenzyl)acetamide
CID 49807268
2,6-difluoro-N-(2-(4-(4-methoxyphenyl)-6-oxopyrimidin-1(6H)-yl)ethyl)benzamide
CID 56764782
2-[2-(4-Fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL]-N-[(3-methoxyphenyl)methyl]acetamide
CID 91912029
2-(2-((2-fluorobenzyl)thio)-6-oxo-1,6-dihydropyrimidin-4-yl)-N-(3-methoxybenzyl)acetamide
CID 135952789

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483624) is 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1cccc(Cn2cnc3c(c2=O)CCNC3)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ULIQSSOZGQHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-13-4-2-3-10(14(13)16)8-19-9-18-12-7-17-6-5-11(12)15(19)20/h2-4,9,17H,5-8H2,1H3.
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 289.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).