4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one

C16H18FN3O3 — CID 3316871

IUPAC4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)NC(=O)N1
InChIInChI=1S/C16H18FN3O3/c1-10-13(15(21)20-6-8-23-9-7-20)14(19-16(22)18-10)11-4-2-3-5-12(11)17/h2-5,14H,6-9H2,1H3,(H2,18,19,22)
InChIKeyCYJBBSJCXAZWNT-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.31
Rot. Bonds2

About 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one

4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 3316871) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID3316871
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)NC(=O)N1
InChIInChI=1S/C16H18FN3O3/c1-10-13(15(21)20-6-8-23-9-7-20)14(19-16(22)18-10)11-4-2-3-5-12(11)17/h2-5,14H,6-9H2,1H3,(H2,18,19,22)
InChIKeyCYJBBSJCXAZWNT-UHFFFAOYSA-N
XLogP1.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-[3-[4-(2-cyanophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10506222
(6R)-N-[3-[4-cyano-4-(4-fluorophenyl)piperidin-1-yl]propyl]-6-(3,4-difluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 10839825
(4R)-N-[3-[4-(2-cyano-4-fluorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10840194
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-6-(methoxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10369288
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxamide
CID 10649481
6-(3,4-Difluoro-phenyl)-5-{3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propylcarbamoyl}-3,4-dimethyl-2-oxo-3,6-dihydro-2H-pyrimidine-1-carboxylic acid methyl ester
CID 10721564
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10767264
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-3,6-dimethyl-2-oxo-1,4-dihydropyrimidine-5-carboxamide
CID 10815240
(6R)-6-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 10839105
(4R)-N-[3-[4-cyano-4-(4-fluorophenyl)piperidin-1-yl]propyl]-4-(4-fluorophenyl)-6-(methoxymethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 137637836
(6R)-6-(3,4-difluorophenyl)-N-[3-[4-(3,4-difluorophenyl)piperidin-1-yl]propyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 137646446
(4R)-N-[3-[4-cyano-4-(4-cyanophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 137659584

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 3316871) is 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)NC(=O)N1.
What is the InChIKey of 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is CYJBBSJCXAZWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-13(15(21)20-6-8-23-9-7-20)14(19-16(22)18-10)11-4-2-3-5-12(11)17/h2-5,14H,6-9H2,1H3,(H2,18,19,22).
What are the key properties of 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 319.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 3316871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).