2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine

C15H24N4 — CID 44827945

IUPAC2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
SMILESCC1CCCC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H24N4/c1-13-4-2-5-14(12-13)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3,6-7,13-14H,2,4-5,8-12H2,1H3
InChIKeyPDKZLAQFMCTJPU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.18
Rot. Bonds2

About 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine

2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine (PubChem CID 44827945) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
PubChem CID44827945
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
SMILESCC1CCCC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H24N4/c1-13-4-2-5-14(12-13)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3,6-7,13-14H,2,4-5,8-12H2,1H3
InChIKeyPDKZLAQFMCTJPU-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 79465987
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
CID 787081
N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762763
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 7047259
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine
CID 828666
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
CID 30982970
2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80997460
N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762762
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine (CID 44827945) is 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine is CC1CCCC(N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine?
The InChIKey is PDKZLAQFMCTJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-13-4-2-5-14(12-13)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3,6-7,13-14H,2,4-5,8-12H2,1H3.
What are the key properties of 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine?
2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine has a molecular weight of 260.38 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 44827945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).