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

C15H24N4 — CID 784284

IUPAC2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine
SMILESCC1CCC(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C15H24N4/c1-13-3-5-14(6-4-13)18-9-11-19(12-10-18)15-16-7-2-8-17-15/h2,7-8,13-14H,3-6,9-12H2,1H3
InChIKeyNXFPXPPUXUJPAA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.18
Rot. Bonds2

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

2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine (PubChem CID 784284) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine
PubChem CID784284
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine
SMILESCC1CCC(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C15H24N4/c1-13-3-5-14(6-4-13)18-9-11-19(12-10-18)15-16-7-2-8-17-15/h2,7-8,13-14H,3-6,9-12H2,1H3
InChIKeyNXFPXPPUXUJPAA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine (CID 784284) is 2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine is CC1CCC(N2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine?
The InChIKey is NXFPXPPUXUJPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-13-3-5-14(6-4-13)18-9-11-19(12-10-18)15-16-7-2-8-17-15/h2,7-8,13-14H,3-6,9-12H2,1H3.
What are the key properties of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine?
2-[4-(4-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-(4-methylcyclohexyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 784284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).