[2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine

C13H21N3O2 — CID 66333410

IUPAC[2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine
SMILESCCCOc1cc(OC2CCCC2CN)ncn1
InChIInChI=1S/C13H21N3O2/c1-2-6-17-12-7-13(16-9-15-12)18-11-5-3-4-10(11)8-14/h7,9-11H,2-6,8,14H2,1H3
InChIKeyYCKJGBMZRXRAIM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.77
Rot. Bonds6

About [2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine

[2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine (PubChem CID 66333410) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine
PubChem CID66333410
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine
SMILESCCCOc1cc(OC2CCCC2CN)ncn1
InChIInChI=1S/C13H21N3O2/c1-2-6-17-12-7-13(16-9-15-12)18-11-5-3-4-10(11)8-14/h7,9-11H,2-6,8,14H2,1H3
InChIKeyYCKJGBMZRXRAIM-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-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine?
The IUPAC name of [2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine (CID 66333410) is [2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine.
What is the SMILES notation for [2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine?
The canonical SMILES for [2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine is CCCOc1cc(OC2CCCC2CN)ncn1.
What is the InChIKey of [2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine?
The InChIKey is YCKJGBMZRXRAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-6-17-12-7-13(16-9-15-12)18-11-5-3-4-10(11)8-14/h7,9-11H,2-6,8,14H2,1H3.
What are the key properties of [2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine?
[2-(6-propoxypyrimidin-4-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-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine is sourced from PubChem (CID 66333410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).