N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine

C22H28N4 — CID 112911256

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCc3ccccc32)nc(NCCC2=CCCCC2)n1
InChIInChI=1S/C22H28N4/c1-17-16-21(26-15-7-11-19-10-5-6-12-20(19)26)25-22(24-17)23-14-13-18-8-3-2-4-9-18/h5-6,8,10,12,16H,2-4,7,9,11,13-15H2,1H3,(H,23,24,25)
InChIKeyAVJMVNNMVQCTOI-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.17
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112911256) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112911256
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCc3ccccc32)nc(NCCC2=CCCCC2)n1
InChIInChI=1S/C22H28N4/c1-17-16-21(26-15-7-11-19-10-5-6-12-20(19)26)25-22(24-17)23-14-13-18-8-3-2-4-9-18/h5-6,8,10,12,16H,2-4,7,9,11,13-15H2,1H3,(H,23,24,25)
InChIKeyAVJMVNNMVQCTOI-UHFFFAOYSA-N
XLogP5.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.17
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-(4-chlorophenyl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112922676
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112921049
N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109364580
4-[2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112911190
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112922578
N-[2-(cyclohexen-1-yl)ethyl]-6-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112856595
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927864
ethyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112911230
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109323431

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine (CID 112911256) is N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCCc3ccccc32)nc(NCCC2=CCCCC2)n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is AVJMVNNMVQCTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-17-16-21(26-15-7-11-19-10-5-6-12-20(19)26)25-22(24-17)23-14-13-18-8-3-2-4-9-18/h5-6,8,10,12,16H,2-4,7,9,11,13-15H2,1H3,(H,23,24,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 348.49 g/mol, XLogP of 5.17, 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]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112911256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).