4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine

C11H9Cl2N3 — CID 90189205

IUPAC4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
SMILESCc1c(Cl)cccc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H9Cl2N3/c1-6-7(3-2-4-8(6)12)9-5-10(13)16-11(14)15-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyXOXSTBMUUZLQPT-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.34
Rot. Bonds1

About 4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine

4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine (PubChem CID 90189205) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
PubChem CID90189205
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine
SMILESCc1c(Cl)cccc1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H9Cl2N3/c1-6-7(3-2-4-8(6)12)9-5-10(13)16-11(14)15-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyXOXSTBMUUZLQPT-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-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine (CID 90189205) is 4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine is Cc1c(Cl)cccc1-c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine?
The InChIKey is XOXSTBMUUZLQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-6-7(3-2-4-8(6)12)9-5-10(13)16-11(14)15-9/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine?
4-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-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-chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 90189205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).