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

C18H22ClN3O3 — CID 108786174

IUPACN-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCOCCCNC(=O)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H22ClN3O3/c1-2-3-10-25-11-4-9-20-17(23)15-12-21-16(22-18(15)24)13-5-7-14(19)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyNCKPAQUQYKUPIE-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.03
Rot. Bonds9

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

N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108786174) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108786174
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCCCOCCCNC(=O)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H22ClN3O3/c1-2-3-10-25-11-4-9-20-17(23)15-12-21-16(22-18(15)24)13-5-7-14(19)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyNCKPAQUQYKUPIE-UHFFFAOYSA-N
XLogP3.03
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786227
N-[4-(methylamino)-4-oxobutyl]-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70765485
2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-methylbutanoic acid
CID 108799274
6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide
CID 66497759
2-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786319
methyl 2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-4-methylpentanoate
CID 108799277
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
N-(3-butoxypropyl)-4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
CID 46091814
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
2-(4-chlorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrimidine-5-carboxamide
CID 108799351
trans-(1S,2R)-2-[[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108809612
2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799350

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 108786174) is N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide is CCCCOCCCNC(=O)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NCKPAQUQYKUPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-2-3-10-25-11-4-9-20-17(23)15-12-21-16(22-18(15)24)13-5-7-14(19)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108786174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).