N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine

C17H26N4 — CID 112884620

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
SMILESC1=C(CCNc2ccnc(N3CCCCC3)n2)CCCC1
InChIInChI=1S/C17H26N4/c1-3-7-15(8-4-1)9-11-18-16-10-12-19-17(20-16)21-13-5-2-6-14-21/h7,10,12H,1-6,8-9,11,13-14H2,(H,18,19,20)
InChIKeySBRBEULEZWSRDE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112884620) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112884620
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
SMILESC1=C(CCNc2ccnc(N3CCCCC3)n2)CCCC1
InChIInChI=1S/C17H26N4/c1-3-7-15(8-4-1)9-11-18-16-10-12-19-17(20-16)21-13-5-2-6-14-21/h7,10,12H,1-6,8-9,11,13-14H2,(H,18,19,20)
InChIKeySBRBEULEZWSRDE-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.77
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]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112941997
N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934210
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122048200
N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855638
N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
2-(azepan-1-yl)-N-(3-phenylpropyl)pyrimidin-4-amine
CID 112899263
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
2-(azepan-1-yl)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidin-4-amine
CID 112901497
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112942990
3-[2-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 154851382
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine (CID 112884620) is N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine is C1=C(CCNc2ccnc(N3CCCCC3)n2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is SBRBEULEZWSRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-7-15(8-4-1)9-11-18-16-10-12-19-17(20-16)21-13-5-2-6-14-21/h7,10,12H,1-6,8-9,11,13-14H2,(H,18,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.77, 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]-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112884620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).