4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine

C11H9Cl2N3O — CID 112724303

IUPAC4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc(Cl)cc2Cl)nc(N)n1
InChIInChI=1S/C11H9Cl2N3O/c1-6-4-10(16-11(14)15-6)17-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyIXKXKZSMDOEYQQ-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.47
Rot. Bonds2

About 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine

4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine (PubChem CID 112724303) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine
PubChem CID112724303
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc(Cl)cc2Cl)nc(N)n1
InChIInChI=1S/C11H9Cl2N3O/c1-6-4-10(16-11(14)15-6)17-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H2,14,15,16)
InChIKeyIXKXKZSMDOEYQQ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine (CID 112724303) is 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine is Cc1cc(Oc2ccc(Cl)cc2Cl)nc(N)n1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is IXKXKZSMDOEYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-6-4-10(16-11(14)15-6)17-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine?
4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 270.12 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112724303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).