1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one

C25H36N4O — CID 83279806

IUPAC1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCCC(C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C25H36N4O/c1-7-19(5)23-26-20(6)22(16-21-10-8-18(4)9-11-21)24(27-23)28-12-14-29(15-13-28)25(30)17(2)3/h8-11,17,19H,7,12-16H2,1-6H3
InChIKeyHSBFMUBQMLSEBO-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.50
Rot. Bonds6

About 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 83279806) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID83279806
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCCC(C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C25H36N4O/c1-7-19(5)23-26-20(6)22(16-21-10-8-18(4)9-11-21)24(27-23)28-12-14-29(15-13-28)25(30)17(2)3/h8-11,17,19H,7,12-16H2,1-6H3
InChIKeyHSBFMUBQMLSEBO-UHFFFAOYSA-N
XLogP4.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 83280590
1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 83281560
N-ethyl-4-[6-methyl-5-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazine-1-carboxamide
CID 91633100
[4-[2-butan-2-yl-6-methyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-cyclobutylmethanone
CID 83280990
1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 4542156
1-[4-[2-cyclopropyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286569
4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 83286372
[4-[2-butan-2-yl-5-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone
CID 83286351
2,2-dichloro-1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 1029555
2-butan-2-yl-4-methyl-5-[(4-nitrophenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 83286328
1-[4-[6-ethyl-5-[(4-nitrophenyl)methyl]-2-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 83282880
[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 3546930

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one (CID 83279806) is 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one is CCC(C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)C(C)C)CC2)n1.
What is the InChIKey of 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is HSBFMUBQMLSEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-7-19(5)23-26-20(6)22(16-21-10-8-18(4)9-11-21)24(27-23)28-12-14-29(15-13-28)25(30)17(2)3/h8-11,17,19H,7,12-16H2,1-6H3.
What are the key properties of 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 408.59 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-butan-2-yl-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83279806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).