4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine

C12H11Cl2N3O — CID 52940058

IUPAC4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(-c2cc(C)nc(N)n2)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-6-3-10(17-12(15)16-6)7-4-11(18-2)9(14)5-8(7)13/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyKYSQWARAEPTJAQ-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.35
Rot. Bonds2

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

4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine (PubChem CID 52940058) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
PubChem CID52940058
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(-c2cc(C)nc(N)n2)c(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-6-3-10(17-12(15)16-6)7-4-11(18-2)9(14)5-8(7)13/h3-5H,1-2H3,(H2,15,16,17)
InChIKeyKYSQWARAEPTJAQ-UHFFFAOYSA-N
XLogP3.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine (CID 52940058) is 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine is COc1cc(-c2cc(C)nc(N)n2)c(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is KYSQWARAEPTJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-6-3-10(17-12(15)16-6)7-4-11(18-2)9(14)5-8(7)13/h3-5H,1-2H3,(H2,15,16,17).
What are the key properties of 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine?
4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 284.15 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 52940058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).