2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine

C14H24N4 — CID 80657640

IUPAC2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCN(Cc1nc(C)cc(NC)n1)C1CCCC1
InChIInChI=1S/C14H24N4/c1-4-18(12-7-5-6-8-12)10-14-16-11(2)9-13(15-3)17-14/h9,12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyZIROPZJTWFFXRS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.59
Rot. Bonds5

About 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine

2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80657640) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80657640
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCN(Cc1nc(C)cc(NC)n1)C1CCCC1
InChIInChI=1S/C14H24N4/c1-4-18(12-7-5-6-8-12)10-14-16-11(2)9-13(15-3)17-14/h9,12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyZIROPZJTWFFXRS-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol
CID 102870654
6-[[cyclohexyl(ethyl)amino]methyl]-N-methylpyridin-2-amine
CID 79243687
2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657236
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylcyclohexanamine
CID 80655142
N,6-dimethyl-2-[[methyl(oxolan-3-yl)amino]methyl]pyrimidin-4-amine
CID 82743511
2-(cyclohexyloxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 80654838
2-(cycloheptyloxymethyl)-N,6-dimethylpyrimidin-4-amine
CID 80653990
2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol
CID 80658050
4-N-cyclohexyl-4-N,2-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934243
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine
CID 103191189

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine (CID 80657640) is 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine is CCN(Cc1nc(C)cc(NC)n1)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ZIROPZJTWFFXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-18(12-7-5-6-8-12)10-14-16-11(2)9-13(15-3)17-14/h9,12H,4-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine?
2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80657640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).