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

C11H8Cl3N3O — CID 46914445

IUPAC4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2cc(Cl)nc(N)n2)c(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3N3O/c1-18-9-2-5(6(12)3-7(9)13)8-4-10(14)17-11(15)16-8/h2-4H,1H3,(H2,15,16,17)
InChIKeySVWHADBXZSEZDQ-UHFFFAOYSA-N
MW304.56 g/mol
LogP3.69
Rot. Bonds2

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

4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine (PubChem CID 46914445) has the molecular formula C11H8Cl3N3O and a molecular weight of 304.56 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine
PubChem CID46914445
Molecular FormulaC11H8Cl3N3O
Molecular Weight304.56 g/mol
Exact Mass302.97
IUPAC Name4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2cc(Cl)nc(N)n2)c(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3N3O/c1-18-9-2-5(6(12)3-7(9)13)8-4-10(14)17-11(15)16-8/h2-4H,1H3,(H2,15,16,17)
InChIKeySVWHADBXZSEZDQ-UHFFFAOYSA-N
XLogP3.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine (CID 46914445) is 4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine is COc1cc(-c2cc(Cl)nc(N)n2)c(Cl)cc1Cl.
What is the InChIKey of 4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is SVWHADBXZSEZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O/c1-18-9-2-5(6(12)3-7(9)13)8-4-10(14)17-11(15)16-8/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine?
4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 304.56 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dichloro-5-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 46914445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).