4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine

C11H9Cl2N3O — CID 46914444

IUPAC4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Cl)c(-c2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C11H9Cl2N3O/c1-17-6-2-3-8(12)7(4-6)9-5-10(13)16-11(14)15-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyCJROSUOBMLRZDI-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.04
Rot. Bonds2

About 4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine

4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine (PubChem CID 46914444) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine
PubChem CID46914444
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Cl)c(-c2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C11H9Cl2N3O/c1-17-6-2-3-8(12)7(4-6)9-5-10(13)16-11(14)15-9/h2-5H,1H3,(H2,14,15,16)
InChIKeyCJROSUOBMLRZDI-UHFFFAOYSA-N
XLogP3.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine (CID 46914444) is 4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine is COc1ccc(Cl)c(-c2cc(Cl)nc(N)n2)c1.
What is the InChIKey of 4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is CJROSUOBMLRZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-17-6-2-3-8(12)7(4-6)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-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine?
4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 270.12 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 46914444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).