6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine

C13H20ClN3 — CID 64920876

IUPAC6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCC(C)C2C)n1
InChIInChI=1S/C13H20ClN3/c1-7-5-6-11(8(7)2)17-13-9(3)12(14)15-10(4)16-13/h7-8,11H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyAFHCOBFJJUVEIS-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.59
Rot. Bonds2

About 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 64920876) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID64920876
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NC2CCC(C)C2C)n1
InChIInChI=1S/C13H20ClN3/c1-7-5-6-11(8(7)2)17-13-9(3)12(14)15-10(4)16-13/h7-8,11H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyAFHCOBFJJUVEIS-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine (CID 64920876) is 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NC2CCC(C)C2C)n1.
What is the InChIKey of 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is AFHCOBFJJUVEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-7-5-6-11(8(7)2)17-13-9(3)12(14)15-10(4)16-13/h7-8,11H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 64920876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).