6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine

C11H16ClN3 — CID 63734583

IUPAC6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCCC2)n1
InChIInChI=1S/C11H16ClN3/c1-7-10(12)13-8(2)14-11(7)15-9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYEXJKGFJZRJRCK-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.10
Rot. Bonds2

About 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine

6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 63734583) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine
PubChem CID63734583
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCCC2)n1
InChIInChI=1S/C11H16ClN3/c1-7-10(12)13-8(2)14-11(7)15-9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyYEXJKGFJZRJRCK-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine (CID 63734583) is 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC2CCCC2)n1.
What is the InChIKey of 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is YEXJKGFJZRJRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-7-10(12)13-8(2)14-11(7)15-9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63734583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).