4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine

C11H9Cl2N3 — CID 71303239

IUPAC4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C11H9Cl2N3/c1-16(8-5-3-2-4-6-8)11-14-9(12)7-10(13)15-11/h2-7H,1H3
InChIKeyJYQXJUUXAWIMLC-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.55
Rot. Bonds2

About 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine

4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine (PubChem CID 71303239) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine
PubChem CID71303239
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1nc(Cl)cc(Cl)n1
InChIInChI=1S/C11H9Cl2N3/c1-16(8-5-3-2-4-6-8)11-14-9(12)7-10(13)15-11/h2-7H,1H3
InChIKeyJYQXJUUXAWIMLC-UHFFFAOYSA-N
XLogP3.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine (CID 71303239) is 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine is CN(c1ccccc1)c1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine?
The InChIKey is JYQXJUUXAWIMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-16(8-5-3-2-4-6-8)11-14-9(12)7-10(13)15-11/h2-7H,1H3.
What are the key properties of 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine?
4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine has a molecular weight of 254.12 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 71303239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).