2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine

C12H19N3 — CID 65415056

IUPAC2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
SMILESCC1CCC(c2ncc(CCN)cn2)C1
InChIInChI=1S/C12H19N3/c1-9-2-3-11(6-9)12-14-7-10(4-5-13)8-15-12/h7-9,11H,2-6,13H2,1H3
InChIKeyNJYRIOTXSKSZNC-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.88
Rot. Bonds3

About 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine

2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine (PubChem CID 65415056) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
PubChem CID65415056
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
SMILESCC1CCC(c2ncc(CCN)cn2)C1
InChIInChI=1S/C12H19N3/c1-9-2-3-11(6-9)12-14-7-10(4-5-13)8-15-12/h7-9,11H,2-6,13H2,1H3
InChIKeyNJYRIOTXSKSZNC-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine (CID 65415056) is 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine is CC1CCC(c2ncc(CCN)cn2)C1.
What is the InChIKey of 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine?
The InChIKey is NJYRIOTXSKSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-2-3-11(6-9)12-14-7-10(4-5-13)8-15-12/h7-9,11H,2-6,13H2,1H3.
What are the key properties of 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine?
2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 65415056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).