2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H21N3 — CID 65405405

IUPAC2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCC1CCC(c2nc(N)c3c(n2)CCC3)C1
InChIInChI=1S/C14H21N3/c1-2-9-6-7-10(8-9)14-16-12-5-3-4-11(12)13(15)17-14/h9-10H,2-8H2,1H3,(H2,15,16,17)
InChIKeyGSGMLOJHBOZWDM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.84
Rot. Bonds2

About 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 65405405) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID65405405
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCC1CCC(c2nc(N)c3c(n2)CCC3)C1
InChIInChI=1S/C14H21N3/c1-2-9-6-7-10(8-9)14-16-12-5-3-4-11(12)13(15)17-14/h9-10H,2-8H2,1H3,(H2,15,16,17)
InChIKeyGSGMLOJHBOZWDM-UHFFFAOYSA-N
XLogP2.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 65405405) is 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCC1CCC(c2nc(N)c3c(n2)CCC3)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GSGMLOJHBOZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-9-6-7-10(8-9)14-16-12-5-3-4-11(12)13(15)17-14/h9-10H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 231.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 65405405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).