(4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C15H17ClN4O3 — CID 41090542

IUPAC(4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)N=C(N2CCOCC2)N1
InChIInChI=1S/C15H17ClN4O3/c16-10-2-1-3-11(8-10)17-14(22)12-9-13(21)19-15(18-12)20-4-6-23-7-5-20/h1-3,8,12H,4-7,9H2,(H,17,22)(H,18,19,21)/t12-/m0/s1
InChIKeyPJLAGJAOROGSLC-LBPRGKRZSA-N
MW336.78 g/mol
LogP0.86
Rot. Bonds2

About (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 41090542) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID41090542
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name(4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)N=C(N2CCOCC2)N1
InChIInChI=1S/C15H17ClN4O3/c16-10-2-1-3-11(8-10)17-14(22)12-9-13(21)19-15(18-12)20-4-6-23-7-5-20/h1-3,8,12H,4-7,9H2,(H,17,22)(H,18,19,21)/t12-/m0/s1
InChIKeyPJLAGJAOROGSLC-LBPRGKRZSA-N
XLogP0.86
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 1088069
(4S)-2-morpholin-4-yl-N-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 27518767
(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41090793
N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2955635
(4R)-2-morpholin-4-yl-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40975980
(4S)-N-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7442098
N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2950799
N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 6485542
(4S)-2-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 92846120
(4S)-N-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7442079
(4S)-2-(4-ethylpiperazin-1-yl)-6-oxo-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182031
(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7413359

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 41090542) is (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)N=C(N2CCOCC2)N1.
What is the InChIKey of (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is PJLAGJAOROGSLC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c16-10-2-1-3-11(8-10)17-14(22)12-9-13(21)19-15(18-12)20-4-6-23-7-5-20/h1-3,8,12H,4-7,9H2,(H,17,22)(H,18,19,21)/t12-/m0/s1.
What are the key properties of (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
(4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 41090542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).