4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one

C16H24N4O — CID 70099982

IUPAC4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one
SMILESCc1cc(C)nc(N2CCN(C3CCC(=O)CC3)CC2)n1
InChIInChI=1S/C16H24N4O/c1-12-11-13(2)18-16(17-12)20-9-7-19(8-10-20)14-3-5-15(21)6-4-14/h11,14H,3-10H2,1-2H3
InChIKeyAMCKCQWYRMVCQB-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.73
Rot. Bonds2

About 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one

4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one (PubChem CID 70099982) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one
PubChem CID70099982
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one
SMILESCc1cc(C)nc(N2CCN(C3CCC(=O)CC3)CC2)n1
InChIInChI=1S/C16H24N4O/c1-12-11-13(2)18-16(17-12)20-9-7-19(8-10-20)14-3-5-15(21)6-4-14/h11,14H,3-10H2,1-2H3
InChIKeyAMCKCQWYRMVCQB-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-methylphenyl)piperazin-1-yl]cyclohexan-1-one
CID 114762012
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-1-carbonyl]cyclohexan-1-one
CID 122333101
(3R)-3-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-ethylpyrrolidine-2,5-dione
CID 7340873
4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexan-1-one
CID 11098892
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 24737037
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
(6S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124942903
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-4,6-dimethylpyrimidine
CID 126892916

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one (CID 70099982) is 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one is Cc1cc(C)nc(N2CCN(C3CCC(=O)CC3)CC2)n1.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one?
The InChIKey is AMCKCQWYRMVCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-11-13(2)18-16(17-12)20-9-7-19(8-10-20)14-3-5-15(21)6-4-14/h11,14H,3-10H2,1-2H3.
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one?
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 70099982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).