3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine

C12H19N3O2 — CID 79465205

IUPAC3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine
SMILESCCCOc1cc(OC2CCC(N)C2)ncn1
InChIInChI=1S/C12H19N3O2/c1-2-5-16-11-7-12(15-8-14-11)17-10-4-3-9(13)6-10/h7-10H,2-6,13H2,1H3
InChIKeyAMWIPQODIJUMKZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.52
Rot. Bonds5

About 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine

3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine (PubChem CID 79465205) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine.

Molecular Properties

Compound Name3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine
PubChem CID79465205
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine
SMILESCCCOc1cc(OC2CCC(N)C2)ncn1
InChIInChI=1S/C12H19N3O2/c1-2-5-16-11-7-12(15-8-14-11)17-10-4-3-9(13)6-10/h7-10H,2-6,13H2,1H3
InChIKeyAMWIPQODIJUMKZ-UHFFFAOYSA-N
XLogP1.52
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine?
The IUPAC name of 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine (CID 79465205) is 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine.
What is the SMILES notation for 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine?
The canonical SMILES for 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine is CCCOc1cc(OC2CCC(N)C2)ncn1.
What is the InChIKey of 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine?
The InChIKey is AMWIPQODIJUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-5-16-11-7-12(15-8-14-11)17-10-4-3-9(13)6-10/h7-10H,2-6,13H2,1H3.
What are the key properties of 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine?
3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine is sourced from PubChem (CID 79465205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).