5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine

C15H24N4 — CID 102536285

IUPAC5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(CNCCC2=CCCCC2)cn1
InChIInChI=1S/C15H24N4/c1-2-17-15-18-11-14(12-19-15)10-16-9-8-13-6-4-3-5-7-13/h6,11-12,16H,2-5,7-10H2,1H3,(H,17,18,19)
InChIKeyNHISKKGYZREKRS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.89
Rot. Bonds7

About 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine

5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine (PubChem CID 102536285) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine
PubChem CID102536285
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(CNCCC2=CCCCC2)cn1
InChIInChI=1S/C15H24N4/c1-2-17-15-18-11-14(12-19-15)10-16-9-8-13-6-4-3-5-7-13/h6,11-12,16H,2-5,7-10H2,1H3,(H,17,18,19)
InChIKeyNHISKKGYZREKRS-UHFFFAOYSA-N
XLogP2.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 102536081
2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536258
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
CID 17210231
2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62404588
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
3-[[2-(ethylamino)pyrimidin-5-yl]methylamino]propanoic acid
CID 102536297
2-(cyclopenten-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115762905
2-(cyclohexen-1-yl)-N-[(3-methylphenyl)methyl]ethanamine chloride
CID 19627969
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
(E)-4-chloro-N-[2-(cyclohexen-1-yl)ethyl]but-2-en-1-amine
CID 81429274

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine (CID 102536285) is 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine is CCNc1ncc(CNCCC2=CCCCC2)cn1.
What is the InChIKey of 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine?
The InChIKey is NHISKKGYZREKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-17-15-18-11-14(12-19-15)10-16-9-8-13-6-4-3-5-7-13/h6,11-12,16H,2-5,7-10H2,1H3,(H,17,18,19).
What are the key properties of 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine?
5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine has a molecular weight of 260.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 102536285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).