1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine

C13H21N3 — CID 63319821

IUPAC1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine
SMILESCCc1c(C)nc(C2(N)CCCC2)nc1C
InChIInChI=1S/C13H21N3/c1-4-11-9(2)15-12(16-10(11)3)13(14)7-5-6-8-13/h4-8,14H2,1-3H3
InChIKeyLJHQXMFPPIVGRJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.38
Rot. Bonds2

About 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine

1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine (PubChem CID 63319821) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine
PubChem CID63319821
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine
SMILESCCc1c(C)nc(C2(N)CCCC2)nc1C
InChIInChI=1S/C13H21N3/c1-4-11-9(2)15-12(16-10(11)3)13(14)7-5-6-8-13/h4-8,14H2,1-3H3
InChIKeyLJHQXMFPPIVGRJ-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine?
The IUPAC name of 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine (CID 63319821) is 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine is CCc1c(C)nc(C2(N)CCCC2)nc1C.
What is the InChIKey of 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine?
The InChIKey is LJHQXMFPPIVGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-11-9(2)15-12(16-10(11)3)13(14)7-5-6-8-13/h4-8,14H2,1-3H3.
What are the key properties of 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine?
1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4,6-dimethylpyrimidin-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 63319821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).