(1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine

C12H19N3 — CID 115827431

IUPAC(1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine
SMILESCCC1(C(N)c2cncnc2)CCCC1
InChIInChI=1S/C12H19N3/c1-2-12(5-3-4-6-12)11(13)10-7-14-9-15-8-10/h7-9,11H,2-6,13H2,1H3
InChIKeyQVYJVIAFDHTKHK-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.45
Rot. Bonds3

About (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine

(1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine (PubChem CID 115827431) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine
PubChem CID115827431
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine
SMILESCCC1(C(N)c2cncnc2)CCCC1
InChIInChI=1S/C12H19N3/c1-2-12(5-3-4-6-12)11(13)10-7-14-9-15-8-10/h7-9,11H,2-6,13H2,1H3
InChIKeyQVYJVIAFDHTKHK-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine (CID 115827431) is (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine is CCC1(C(N)c2cncnc2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine?
The InChIKey is QVYJVIAFDHTKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-12(5-3-4-6-12)11(13)10-7-14-9-15-8-10/h7-9,11H,2-6,13H2,1H3.
What are the key properties of (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine?
(1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine has a molecular weight of 205.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 115827431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).