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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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).