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

C16H19ClN4O3 — CID 1088069

IUPAC(4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCOCC3)=N2)cc1Cl
InChIInChI=1S/C16H19ClN4O3/c1-10-2-3-11(8-12(10)17)18-15(23)13-9-14(22)20-16(19-13)21-4-6-24-7-5-21/h2-3,8,13H,4-7,9H2,1H3,(H,18,23)(H,19,20,22)/t13-/m0/s1
InChIKeyCILQKJNASPMAOY-ZDUSSCGKSA-N
MW350.81 g/mol
LogP1.16
Rot. Bonds2

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

(4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 1088069) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID1088069
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name(4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCOCC3)=N2)cc1Cl
InChIInChI=1S/C16H19ClN4O3/c1-10-2-3-11(8-12(10)17)18-15(23)13-9-14(22)20-16(19-13)21-4-6-24-7-5-21/h2-3,8,13H,4-7,9H2,1H3,(H,18,23)(H,19,20,22)/t13-/m0/s1
InChIKeyCILQKJNASPMAOY-ZDUSSCGKSA-N
XLogP1.16
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2955635
(4S)-N-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41090542
(4S)-N-(4-bromophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41090793
(4R)-2-morpholin-4-yl-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 40975980
(4S)-2-morpholin-4-yl-N-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 27518767
N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 6485542
(4R)-6-oxo-2-(4-phenylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 7413359
N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2950799
(4S)-2-(4-benzylpiperazin-1-yl)-N-(4-chlorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 92846120
N-(3-chloro-4-methylphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3160981
ethyl 4-[[(4S)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoate
CID 40814571
(4S)-2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2027293

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 1088069) is (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCOCC3)=N2)cc1Cl.
What is the InChIKey of (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is CILQKJNASPMAOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-10-2-3-11(8-12(10)17)18-15(23)13-9-14(22)20-16(19-13)21-4-6-24-7-5-21/h2-3,8,13H,4-7,9H2,1H3,(H,18,23)(H,19,20,22)/t13-/m0/s1.
What are the key properties of (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
(4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 1088069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).