2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine

C11H9Cl2N3O — CID 114044060

IUPAC2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine
SMILESCc1nc(Cl)nc(Oc2ccccc2Cl)c1N
InChIInChI=1S/C11H9Cl2N3O/c1-6-9(14)10(16-11(13)15-6)17-8-5-3-2-4-7(8)12/h2-5H,14H2,1H3
InChIKeyDYMRBMNHFKUWJO-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.47
Rot. Bonds2

About 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine

2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine (PubChem CID 114044060) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine
PubChem CID114044060
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine
SMILESCc1nc(Cl)nc(Oc2ccccc2Cl)c1N
InChIInChI=1S/C11H9Cl2N3O/c1-6-9(14)10(16-11(13)15-6)17-8-5-3-2-4-7(8)12/h2-5H,14H2,1H3
InChIKeyDYMRBMNHFKUWJO-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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Related Compounds

2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine
CID 114044056
3,6-dichloro-5-(2-chlorophenoxy)-1,2,4-triazine
CID 81036257
3-(5-amino-2-chloro-6-methylpyrimidin-4-yl)oxybenzonitrile
CID 114044085
4-chloro-6-(2-chlorophenoxy)pyrimidin-5-amine
CID 46172362
3-(2-chlorophenoxy)pyrazin-2-amine
CID 102987821
2-(2-chlorophenoxy)-5-methylpyridin-3-amine
CID 66279781
5-(2-chlorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66012101
2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine
CID 87714361
4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine
CID 14724259
5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
6-bromo-3-chloro-2-(2-chlorophenoxy)aniline
CID 170702693
azane;1-chloro-2-phenoxybenzene
CID 68980819

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine?
The IUPAC name of 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine (CID 114044060) is 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine is Cc1nc(Cl)nc(Oc2ccccc2Cl)c1N.
What is the InChIKey of 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine?
The InChIKey is DYMRBMNHFKUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-6-9(14)10(16-11(13)15-6)17-8-5-3-2-4-7(8)12/h2-5H,14H2,1H3.
What are the key properties of 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine?
2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-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 2-chloro-4-(2-chlorophenoxy)-6-methylpyrimidin-5-amine is sourced from PubChem (CID 114044060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).