N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine

C20H32N4 — CID 112869387

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NCCC2=CCCCC2)nc(C)n1
InChIInChI=1S/C20H32N4/c1-3-18-11-7-8-14-24(18)20-15-19(22-16(2)23-20)21-13-12-17-9-5-4-6-10-17/h9,15,18H,3-8,10-14H2,1-2H3,(H,21,22,23)
InChIKeyGDOKTQBUROPCNV-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.86
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 112869387) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
PubChem CID112869387
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1cc(NCCC2=CCCCC2)nc(C)n1
InChIInChI=1S/C20H32N4/c1-3-18-11-7-8-14-24(18)20-15-19(22-16(2)23-20)21-13-12-17-9-5-4-6-10-17/h9,15,18H,3-8,10-14H2,1-2H3,(H,21,22,23)
InChIKeyGDOKTQBUROPCNV-UHFFFAOYSA-N
XLogP4.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112943182
N-[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870575
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
6-(2-ethylpiperidin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874201
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869044
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140440
N-(3,5-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876471
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876470
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867644
N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364455
N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 104693100

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine (CID 112869387) is N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine is CCC1CCCCN1c1cc(NCCC2=CCCCC2)nc(C)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is GDOKTQBUROPCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-3-18-11-7-8-14-24(18)20-15-19(22-16(2)23-20)21-13-12-17-9-5-4-6-10-17/h9,15,18H,3-8,10-14H2,1-2H3,(H,21,22,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 328.50 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112869387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).