1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine

C13H21N3 — CID 63319216

IUPAC1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine
SMILESCCC(N)c1nc(C)cc(C2CCCC2)n1
InChIInChI=1S/C13H21N3/c1-3-11(14)13-15-9(2)8-12(16-13)10-6-4-5-7-10/h8,10-11H,3-7,14H2,1-2H3
InChIKeyUHIKHYGYRATKAA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine

1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine (PubChem CID 63319216) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine
PubChem CID63319216
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine
SMILESCCC(N)c1nc(C)cc(C2CCCC2)n1
InChIInChI=1S/C13H21N3/c1-3-11(14)13-15-9(2)8-12(16-13)10-6-4-5-7-10/h8,10-11H,3-7,14H2,1-2H3
InChIKeyUHIKHYGYRATKAA-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine?
The IUPAC name of 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine (CID 63319216) is 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine is CCC(N)c1nc(C)cc(C2CCCC2)n1.
What is the InChIKey of 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine?
The InChIKey is UHIKHYGYRATKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-11(14)13-15-9(2)8-12(16-13)10-6-4-5-7-10/h8,10-11H,3-7,14H2,1-2H3.
What are the key properties of 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine?
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 63319216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).