2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide

C18H21ClN4O3 — CID 137150789

IUPAC2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)N2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C18H21ClN4O3/c1-12-10-17(24)22-16(21-12)6-7-20-18(25)23-8-9-26-15(11-23)13-2-4-14(19)5-3-13/h2-5,10,15H,6-9,11H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyMGJGNFYTSVMTFC-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.06
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide

2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide (PubChem CID 137150789) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide
PubChem CID137150789
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)N2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C18H21ClN4O3/c1-12-10-17(24)22-16(21-12)6-7-20-18(25)23-8-9-26-15(11-23)13-2-4-14(19)5-3-13/h2-5,10,15H,6-9,11H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyMGJGNFYTSVMTFC-UHFFFAOYSA-N
XLogP2.06
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(propoxymethyl)pyrrolidine-1-carboxamide
CID 137025280
(2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
CID 94656763
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 87036072
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 136607690
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
(2R)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-phenylmorpholine-4-carboxamide
CID 126430853

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide (CID 137150789) is 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)N2CCOC(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is MGJGNFYTSVMTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-12-10-17(24)22-16(21-12)6-7-20-18(25)23-8-9-26-15(11-23)13-2-4-14(19)5-3-13/h2-5,10,15H,6-9,11H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide?
2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 137150789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).