2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine

C14H23N3O — CID 114207193

IUPAC2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
SMILESCCOC1(c2ncc(N)c(C(C)C)n2)CCCC1
InChIInChI=1S/C14H23N3O/c1-4-18-14(7-5-6-8-14)13-16-9-11(15)12(17-13)10(2)3/h9-10H,4-8,15H2,1-3H3
InChIKeyKTYUVIHEQSBZIR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.99
Rot. Bonds4

About 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine

2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine (PubChem CID 114207193) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
PubChem CID114207193
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
SMILESCCOC1(c2ncc(N)c(C(C)C)n2)CCCC1
InChIInChI=1S/C14H23N3O/c1-4-18-14(7-5-6-8-14)13-16-9-11(15)12(17-13)10(2)3/h9-10H,4-8,15H2,1-3H3
InChIKeyKTYUVIHEQSBZIR-UHFFFAOYSA-N
XLogP2.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine (CID 114207193) is 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine is CCOC1(c2ncc(N)c(C(C)C)n2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine?
The InChIKey is KTYUVIHEQSBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-18-14(7-5-6-8-14)13-16-9-11(15)12(17-13)10(2)3/h9-10H,4-8,15H2,1-3H3.
What are the key properties of 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine?
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine has a molecular weight of 249.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 114207193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).