6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine

C11H9Cl2N3 — CID 114879311

IUPAC6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3/c1-6-15-10(5-11(14)16-6)7-2-8(12)4-9(13)3-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyQGSWZFPJQYLWSJ-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.34
Rot. Bonds1

About 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine

6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine (PubChem CID 114879311) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine
PubChem CID114879311
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3/c1-6-15-10(5-11(14)16-6)7-2-8(12)4-9(13)3-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyQGSWZFPJQYLWSJ-UHFFFAOYSA-N
XLogP3.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine (CID 114879311) is 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine?
The InChIKey is QGSWZFPJQYLWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-6-15-10(5-11(14)16-6)7-2-8(12)4-9(13)3-7/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine?
6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine has a molecular weight of 254.12 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 114879311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).