2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide

C18H21ClN4O3 — CID 108786227

IUPAC2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H21ClN4O3/c19-14-4-2-13(3-5-14)16-21-12-15(18(25)22-16)17(24)20-6-1-7-23-8-10-26-11-9-23/h2-5,12H,1,6-11H2,(H,20,24)(H,21,22,25)
InChIKeyVWQATEPXABHEJO-UHFFFAOYSA-N
MW376.84 g/mol
LogP1.54
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108786227) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108786227
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H21ClN4O3/c19-14-4-2-13(3-5-14)16-21-12-15(18(25)22-16)17(24)20-6-1-7-23-8-10-26-11-9-23/h2-5,12H,1,6-11H2,(H,20,24)(H,21,22,25)
InChIKeyVWQATEPXABHEJO-UHFFFAOYSA-N
XLogP1.54
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
CID 70724558
3-[3-(4-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 135859553
N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786174
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799364
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 42785629
5-cyano-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63717300
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605
trans-(1S,2R)-2-[[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108809612
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 108786227) is 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NCCCN1CCOCC1)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VWQATEPXABHEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c19-14-4-2-13(3-5-14)16-21-12-15(18(25)22-16)17(24)20-6-1-7-23-8-10-26-11-9-23/h2-5,12H,1,6-11H2,(H,20,24)(H,21,22,25).
What are the key properties of 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108786227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).