3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine

C13H21N3O — CID 105496788

IUPAC3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine
SMILESCOc1ncnc(C2CCCC2)c1CCCN
InChIInChI=1S/C13H21N3O/c1-17-13-11(7-4-8-14)12(15-9-16-13)10-5-2-3-6-10/h9-10H,2-8,14H2,1H3
InChIKeyUTPQYKLMUDKVJV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds5

About 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine

3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine (PubChem CID 105496788) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine
PubChem CID105496788
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine
SMILESCOc1ncnc(C2CCCC2)c1CCCN
InChIInChI=1S/C13H21N3O/c1-17-13-11(7-4-8-14)12(15-9-16-13)10-5-2-3-6-10/h9-10H,2-8,14H2,1H3
InChIKeyUTPQYKLMUDKVJV-UHFFFAOYSA-N
XLogP2.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine?
The IUPAC name of 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine (CID 105496788) is 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine is COc1ncnc(C2CCCC2)c1CCCN.
What is the InChIKey of 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine?
The InChIKey is UTPQYKLMUDKVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-13-11(7-4-8-14)12(15-9-16-13)10-5-2-3-6-10/h9-10H,2-8,14H2,1H3.
What are the key properties of 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine?
3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 105496788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).