3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine

C16H27N3 — CID 65293724

IUPAC3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1c(C)nc(C2CCCC2)nc1C
InChIInChI=1S/C16H27N3/c1-11(10-17-4)9-15-12(2)18-16(19-13(15)3)14-7-5-6-8-14/h11,14,17H,5-10H2,1-4H3
InChIKeyYZIOZMZBLYPMKT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.15
Rot. Bonds5

About 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine

3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine (PubChem CID 65293724) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
PubChem CID65293724
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1c(C)nc(C2CCCC2)nc1C
InChIInChI=1S/C16H27N3/c1-11(10-17-4)9-15-12(2)18-16(19-13(15)3)14-7-5-6-8-14/h11,14,17H,5-10H2,1-4H3
InChIKeyYZIOZMZBLYPMKT-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 65399366
3-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 80631067
(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 62744554
3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 64985851
3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 79412388
N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745997
2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol
CID 115069783
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669
2-[2-(4,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 65390475
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
N-tert-butyl-3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65419797
4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine
CID 80602537

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine (CID 65293724) is 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine is CNCC(C)Cc1c(C)nc(C2CCCC2)nc1C.
What is the InChIKey of 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is YZIOZMZBLYPMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11(10-17-4)9-15-12(2)18-16(19-13(15)3)14-7-5-6-8-14/h11,14,17H,5-10H2,1-4H3.
What are the key properties of 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine?
3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 65293724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).