5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one

C15H17ClN2O — CID 135419066

IUPAC5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C15H17ClN2O/c1-3-4-5-13-10(2)17-14(18-15(13)19)11-6-8-12(16)9-7-11/h6-9H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyKXJUVLVQDVGGTI-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.74
Rot. Bonds4

About 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one

5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135419066) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135419066
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C15H17ClN2O/c1-3-4-5-13-10(2)17-14(18-15(13)19)11-6-8-12(16)9-7-11/h6-9H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyKXJUVLVQDVGGTI-UHFFFAOYSA-N
XLogP3.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
2-(4-Chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-one
CID 761950
3-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 867917
3-(4-chlorophenyl)-2,5-dimethyl-6-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1863824
2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
CID 135753389
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249
3-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-8H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-one
CID 653420
3-(4-chlorophenyl)-6-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 675291
6-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16415154
5-butyl-2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135418965
2-Phenyl-3,4,5,6,7,8-hexahydroquinazolin-4-one
CID 135440564
3-(4-Chlorophenyl)-6-methyl-1,2,4-triazin-5-ol
CID 135472873

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one (CID 135419066) is 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KXJUVLVQDVGGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-4-5-13-10(2)17-14(18-15(13)19)11-6-8-12(16)9-7-11/h6-9H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one?
5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 276.77 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-chlorophenyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135419066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).