cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C16H24N4O — CID 108755282

IUPACcyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCCC3)CC2)ncn1
InChIInChI=1S/C16H24N4O/c1-13-11-15(18-12-17-13)19-7-9-20(10-8-19)16(21)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3
InChIKeyREHGSQXJHHDMRW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds2

About cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone

cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 108755282) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID108755282
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namecyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCCC3)CC2)ncn1
InChIInChI=1S/C16H24N4O/c1-13-11-15(18-12-17-13)19-7-9-20(10-8-19)16(21)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3
InChIKeyREHGSQXJHHDMRW-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343339
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
cyclobutyl-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 126858119
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
N-cyclopropyl-2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 133297271
cyclopropyl-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498837
2,2-dimethyl-1-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 171335437

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 108755282) is cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)C3CCCCC3)CC2)ncn1.
What is the InChIKey of cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is REHGSQXJHHDMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-11-15(18-12-17-13)19-7-9-20(10-8-19)16(21)14-5-3-2-4-6-14/h11-12,14H,2-10H2,1H3.
What are the key properties of cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108755282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).