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

C15H16FN3O2 — CID 103483564

IUPAC3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2cnc3c(c2=O)CCNC3)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-14-3-2-10(6-12(14)16)8-19-9-18-13-7-17-5-4-11(13)15(19)20/h2-3,6,9,17H,4-5,7-8H2,1H3
InChIKeyXPDRPGJRHPALGE-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.09
Rot. Bonds3

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

3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483564) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483564
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2cnc3c(c2=O)CCNC3)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-14-3-2-10(6-12(14)16)8-19-9-18-13-7-17-5-4-11(13)15(19)20/h2-3,6,9,17H,4-5,7-8H2,1H3
InChIKeyXPDRPGJRHPALGE-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

7-(4-Methoxyphenyl)-1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
CID 76280732
N-(4-amino-6-oxo-1,6-dihydro-5-pyrimidinyl)-4-methoxybenzamide
CID 135468800
4-[1-(2,6-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-5-methyl-1H-pyrimidin-6-one
CID 137175147
5-hydroxy-N-[(4-methoxyphenyl)methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 168295620
N-(4-methoxybenzyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010492
2-(4-Methoxy-benzylamino)-6-trifluoromethyl-pyrimidin-4-ol
CID 136048712
7-[2-(3,4-Difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112276
2-(4-fluorophenyl)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136262728
6-Benzyl-2-[(4-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136369988
N-(4-fluorophenyl)-2-(4-(4-methoxyphenyl)-6-oxopyrimidin-1(6H)-yl)acetamide
CID 25884223
N-(2,4-difluorophenyl)-2-[4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]acetamide
CID 25884224
N-(3,4-difluorophenyl)-2-(4-(4-methoxyphenyl)-6-oxopyrimidin-1(6H)-yl)acetamide
CID 25884225

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483564) is 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccc(Cn2cnc3c(c2=O)CCNC3)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XPDRPGJRHPALGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-14-3-2-10(6-12(14)16)8-19-9-18-13-7-17-5-4-11(13)15(19)20/h2-3,6,9,17H,4-5,7-8H2,1H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[(3-fluoro-4-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-[(3-fluoro-4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).