2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine

C13H19Cl2N3 — CID 112569483

IUPAC2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C13H19Cl2N3/c1-18(2)8-7-10-16-12(14)11(13(15)17-10)9-5-3-4-6-9/h9H,3-8H2,1-2H3
InChIKeyZJDOEQHQXMPTIU-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.55
Rot. Bonds4

About 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine

2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine (PubChem CID 112569483) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine
PubChem CID112569483
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C13H19Cl2N3/c1-18(2)8-7-10-16-12(14)11(13(15)17-10)9-5-3-4-6-9/h9H,3-8H2,1-2H3
InChIKeyZJDOEQHQXMPTIU-UHFFFAOYSA-N
XLogP3.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine (CID 112569483) is 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine is CN(C)CCc1nc(Cl)c(C2CCCC2)c(Cl)n1.
What is the InChIKey of 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine?
The InChIKey is ZJDOEQHQXMPTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-18(2)8-7-10-16-12(14)11(13(15)17-10)9-5-3-4-6-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine?
2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine has a molecular weight of 288.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 112569483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).