2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one

C19H24FN3O3 — CID 136707383

IUPAC2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(C2CCCN(Cc3cc(OC)ccc3F)C2)n1
InChIInChI=1S/C19H24FN3O3/c1-25-12-15-9-18(24)22-19(21-15)13-4-3-7-23(10-13)11-14-8-16(26-2)5-6-17(14)20/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,21,22,24)
InChIKeyQJSUPGFRCRNINY-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.44
Rot. Bonds6

About 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one

2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136707383) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136707383
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(C2CCCN(Cc3cc(OC)ccc3F)C2)n1
InChIInChI=1S/C19H24FN3O3/c1-25-12-15-9-18(24)22-19(21-15)13-4-3-7-23(10-13)11-14-8-16(26-2)5-6-17(14)20/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,21,22,24)
InChIKeyQJSUPGFRCRNINY-UHFFFAOYSA-N
XLogP2.44
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-[(3-methoxyphenyl)methyl]-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677527
4,5-dimethyl-2-[[(Z)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-6-one
CID 135483993
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(3-methoxybenzyl)acetamide
CID 49807268
2-Methyl-6-[2-({2-[(2-methylprop-2-en-1-yl)oxy]benzyl}amino)ethyl]pyrimidin-4-ol
CID 136046732
6-Amino-2-[2-({3-[(2-methylprop-2-en-1-yl)oxy]benzyl}amino)ethyl]pyrimidin-4-ol
CID 136060415
6-[1-(2-Fluoro-5-methoxybenzyl)-3-piperidinyl]-2-methyl-4-pyrimidinol
CID 136102769
4-(methoxymethyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136253615
6-(Methoxymethyl)-2-{1-[(4-methoxyphenyl)methyl]piperidin-3-YL}pyrimidin-4-OL
CID 136707375
6-{1-[(2,5-Dimethoxyphenyl)methyl]pyrrolidin-3-YL}-2-methylpyrimidin-4-OL
CID 136760190
4-[1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760213
6-{1-[(2-Fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-YL}-2-methylpyrimidin-4-OL
CID 136760228
6-{1-[(3-Methoxyphenyl)methyl]pyrrolidin-3-YL}-2-methylpyrimidin-4-OL
CID 136816518

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136707383) is 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(C2CCCN(Cc3cc(OC)ccc3F)C2)n1.
What is the InChIKey of 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is QJSUPGFRCRNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-25-12-15-9-18(24)22-19(21-15)13-4-3-7-23(10-13)11-14-8-16(26-2)5-6-17(14)20/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 361.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136707383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).