2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine

C13H13Cl2N3 — CID 62201749

IUPAC2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-2-4-8-7-11(16)18-13(17-8)9-5-3-6-10(14)12(9)15/h3,5-7H,2,4H2,1H3,(H2,16,17,18)
InChIKeyXUEQMPSJJWCFDT-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.99
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine

2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine (PubChem CID 62201749) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine
PubChem CID62201749
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-2-4-8-7-11(16)18-13(17-8)9-5-3-6-10(14)12(9)15/h3,5-7H,2,4H2,1H3,(H2,16,17,18)
InChIKeyXUEQMPSJJWCFDT-UHFFFAOYSA-N
XLogP3.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine (CID 62201749) is 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine is CCCc1cc(N)nc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine?
The InChIKey is XUEQMPSJJWCFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-2-4-8-7-11(16)18-13(17-8)9-5-3-6-10(14)12(9)15/h3,5-7H,2,4H2,1H3,(H2,16,17,18).
What are the key properties of 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine?
2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62201749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).