N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C19H30N4 — CID 112911109

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NCCC2=CCCCC2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H30N4/c1-15-7-6-12-23(14-15)19-21-16(2)13-18(22-19)20-11-10-17-8-4-3-5-9-17/h8,13,15H,3-7,9-12,14H2,1-2H3,(H,20,21,22)
InChIKeyIUHFMLGKMAKESX-UHFFFAOYSA-N
MW314.48 g/mol
LogP4.32
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112911109) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112911109
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NCCC2=CCCCC2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H30N4/c1-15-7-6-12-23(14-15)19-21-16(2)13-18(22-19)20-11-10-17-8-4-3-5-9-17/h8,13,15H,3-7,9-12,14H2,1-2H3,(H,20,21,22)
InChIKeyIUHFMLGKMAKESX-UHFFFAOYSA-N
XLogP4.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.32
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',N'-dimethyl-N-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 112912830
1-[4-[4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112911054
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112920951
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112922389
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112918204
N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934210
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112919450
6-methyl-2-(3-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112926182
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907398
N-(3-chloro-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926195
N-(2-bromo-4-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926238

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112911109) is N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is Cc1cc(NCCC2=CCCCC2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is IUHFMLGKMAKESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-15-7-6-12-23(14-15)19-21-16(2)13-18(22-19)20-11-10-17-8-4-3-5-9-17/h8,13,15H,3-7,9-12,14H2,1-2H3,(H,20,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 314.48 g/mol, XLogP of 4.32, 5 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-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112911109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).