2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

C13H13Cl2N3 — CID 62190533

IUPAC2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3/c1-8-5-12(16-2)18-13(17-8)7-9-3-4-10(14)11(15)6-9/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyXGZUWAVBHRGNAR-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.72
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 62190533) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID62190533
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3/c1-8-5-12(16-2)18-13(17-8)7-9-3-4-10(14)11(15)6-9/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyXGZUWAVBHRGNAR-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 62190533) is 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is XGZUWAVBHRGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-8-5-12(16-2)18-13(17-8)7-9-3-4-10(14)11(15)6-9/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62190533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).