N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine

C15H25N5 — CID 114762763

IUPACN-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCNC1CCC(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C15H25N5/c1-16-13-3-5-14(6-4-13)19-9-11-20(12-10-19)15-17-7-2-8-18-15/h2,7-8,13-14,16H,3-6,9-12H2,1H3
InChIKeyFPYPVFGHDXPKHX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.13
Rot. Bonds3

About N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine

N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 114762763) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID114762763
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCNC1CCC(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C15H25N5/c1-16-13-3-5-14(6-4-13)19-9-11-20(12-10-19)15-17-7-2-8-18-15/h2,7-8,13-14,16H,3-6,9-12H2,1H3
InChIKeyFPYPVFGHDXPKHX-UHFFFAOYSA-N
XLogP1.13
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762762
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216
2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
CID 19958540
N-(4-methylcyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675571
2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 44827945
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
CID 30982970
3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 79465987
methyl 2-(4-cyclopropylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 66589828
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
1-cyclopropyl-N-methylpiperidin-4-amine;ethane
CID 142484063
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine (CID 114762763) is N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine is CNC1CCC(N2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is FPYPVFGHDXPKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-16-13-3-5-14(6-4-13)19-9-11-20(12-10-19)15-17-7-2-8-18-15/h2,7-8,13-14,16H,3-6,9-12H2,1H3.
What are the key properties of N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 114762763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).