2-(1-ethoxycyclopentyl)pyrimidin-4-amine

C11H17N3O — CID 116775700

IUPAC2-(1-ethoxycyclopentyl)pyrimidin-4-amine
SMILESCCOC1(c2nccc(N)n2)CCCC1
InChIInChI=1S/C11H17N3O/c1-2-15-11(6-3-4-7-11)10-13-8-5-9(12)14-10/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14)
InChIKeyHDIOIHIWNRWLIG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.86
Rot. Bonds3

About 2-(1-ethoxycyclopentyl)pyrimidin-4-amine

2-(1-ethoxycyclopentyl)pyrimidin-4-amine (PubChem CID 116775700) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)pyrimidin-4-amine
PubChem CID116775700
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(1-ethoxycyclopentyl)pyrimidin-4-amine
SMILESCCOC1(c2nccc(N)n2)CCCC1
InChIInChI=1S/C11H17N3O/c1-2-15-11(6-3-4-7-11)10-13-8-5-9(12)14-10/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14)
InChIKeyHDIOIHIWNRWLIG-UHFFFAOYSA-N
XLogP1.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)pyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycyclopentyl)pyrimidin-4-amine (CID 116775700) is 2-(1-ethoxycyclopentyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycyclopentyl)pyrimidin-4-amine is CCOC1(c2nccc(N)n2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)pyrimidin-4-amine?
The InChIKey is HDIOIHIWNRWLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-15-11(6-3-4-7-11)10-13-8-5-9(12)14-10/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14).
What are the key properties of 2-(1-ethoxycyclopentyl)pyrimidin-4-amine?
2-(1-ethoxycyclopentyl)pyrimidin-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)pyrimidin-4-amine is sourced from PubChem (CID 116775700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).