4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C16H20ClN3O2 — CID 71654434

IUPAC4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCCCC1NC(=O)NC(C)=C1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-3-4-5-13-14(10(2)18-16(22)20-13)15(21)19-12-8-6-11(17)7-9-12/h6-9,13H,3-5H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyMUANCLNFFHVGQV-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.42
Rot. Bonds5

About 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 71654434) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID71654434
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCCCC1NC(=O)NC(C)=C1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3O2/c1-3-4-5-13-14(10(2)18-16(22)20-13)15(21)19-12-8-6-11(17)7-9-12/h6-9,13H,3-5H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyMUANCLNFFHVGQV-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 71654434) is 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCCCC1NC(=O)NC(C)=C1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is MUANCLNFFHVGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-3-4-5-13-14(10(2)18-16(22)20-13)15(21)19-12-8-6-11(17)7-9-12/h6-9,13H,3-5H2,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 71654434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).