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

C11H9Cl2N3 — CID 39796773

IUPAC4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cccc(Cl)c2Cl)nc(N)n1
InChIInChI=1S/C11H9Cl2N3/c1-6-5-9(16-11(14)15-6)7-3-2-4-8(12)10(7)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyGFXOOMBZKMSVOU-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.34
Rot. Bonds1

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

4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine (PubChem CID 39796773) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
PubChem CID39796773
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cccc(Cl)c2Cl)nc(N)n1
InChIInChI=1S/C11H9Cl2N3/c1-6-5-9(16-11(14)15-6)7-3-2-4-8(12)10(7)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyGFXOOMBZKMSVOU-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 4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine (CID 39796773) is 4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine is Cc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.
What is the InChIKey of 4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine?
The InChIKey is GFXOOMBZKMSVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-6-5-9(16-11(14)15-6)7-3-2-4-8(12)10(7)13/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine?
4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-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 4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 39796773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).