[2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine

C13H21N3O2 — CID 112639060

IUPAC[2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine
SMILESCCCOc1ccnc(OC2CCCC2CN)n1
InChIInChI=1S/C13H21N3O2/c1-2-8-17-12-6-7-15-13(16-12)18-11-5-3-4-10(11)9-14/h6-7,10-11H,2-5,8-9,14H2,1H3
InChIKeyABELPSBOCVPSDL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.77
Rot. Bonds6

About [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine

[2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine (PubChem CID 112639060) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine
PubChem CID112639060
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine
SMILESCCCOc1ccnc(OC2CCCC2CN)n1
InChIInChI=1S/C13H21N3O2/c1-2-8-17-12-6-7-15-13(16-12)18-11-5-3-4-10(11)9-14/h6-7,10-11H,2-5,8-9,14H2,1H3
InChIKeyABELPSBOCVPSDL-UHFFFAOYSA-N
XLogP1.77
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine?
The IUPAC name of [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine (CID 112639060) is [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine.
What is the SMILES notation for [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine?
The canonical SMILES for [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine is CCCOc1ccnc(OC2CCCC2CN)n1.
What is the InChIKey of [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine?
The InChIKey is ABELPSBOCVPSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-8-17-12-6-7-15-13(16-12)18-11-5-3-4-10(11)9-14/h6-7,10-11H,2-5,8-9,14H2,1H3.
What are the key properties of [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine?
[2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propoxypyrimidin-2-yl)oxycyclopentyl]methanamine is sourced from PubChem (CID 112639060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).