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

C16H17ClFN3O3 — CID 4304137

IUPAC4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2c(F)cccc2Cl)NC(=O)N1
InChIInChI=1S/C16H17ClFN3O3/c1-9-12(15(22)21-5-7-24-8-6-21)14(20-16(23)19-9)13-10(17)3-2-4-11(13)18/h2-4,14H,5-8H2,1H3,(H2,19,20,23)
InChIKeyANHITNAOGPPQIS-UHFFFAOYSA-N
MW353.78 g/mol
LogP1.97
Rot. Bonds2

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

4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 4304137) has the molecular formula C16H17ClFN3O3 and a molecular weight of 353.78 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID4304137
Molecular FormulaC16H17ClFN3O3
Molecular Weight353.78 g/mol
Exact Mass353.09
IUPAC Name4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2c(F)cccc2Cl)NC(=O)N1
InChIInChI=1S/C16H17ClFN3O3/c1-9-12(15(22)21-5-7-24-8-6-21)14(20-16(23)19-9)13-10(17)3-2-4-11(13)18/h2-4,14H,5-8H2,1H3,(H2,19,20,23)
InChIKeyANHITNAOGPPQIS-UHFFFAOYSA-N
XLogP1.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2998268
[1-(2-Chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea
CID 4883314
4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2938693
N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
CID 59252116
US11077113, Example 8
CID 162533418
N~3~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,3-dicarboxamide
CID 3242826
2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 18136223
7-[(2-Chloro-4-fluorophenyl)methyl]-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665506
[4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 3558338
4-(2-Chloro-6-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 3344977
(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
CID 71452628
6-(2-chlorophenyl)-4-morpholino-1H-pyridin-2-one
CID 162533413

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 4304137) is 4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)N2CCOCC2)C(c2c(F)cccc2Cl)NC(=O)N1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ANHITNAOGPPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O3/c1-9-12(15(22)21-5-7-24-8-6-21)14(20-16(23)19-9)13-10(17)3-2-4-11(13)18/h2-4,14H,5-8H2,1H3,(H2,19,20,23).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one?
4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 353.78 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 4304137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).