5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine

C12H10Cl3N3O — CID 80869450

IUPAC5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H10Cl3N3O/c1-2-16-12-17-6-9(15)11(18-12)19-10-4-3-7(13)5-8(10)14/h3-6H,2H2,1H3,(H,16,17,18)
InChIKeyIAAZDCCQUFQBIP-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.66
Rot. Bonds4

About 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine

5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine (PubChem CID 80869450) has the molecular formula C12H10Cl3N3O and a molecular weight of 318.59 g/mol. Its IUPAC name is 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
PubChem CID80869450
Molecular FormulaC12H10Cl3N3O
Molecular Weight318.59 g/mol
Exact Mass316.99
IUPAC Name5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H10Cl3N3O/c1-2-16-12-17-6-9(15)11(18-12)19-10-4-3-7(13)5-8(10)14/h3-6H,2H2,1H3,(H,16,17,18)
InChIKeyIAAZDCCQUFQBIP-UHFFFAOYSA-N
XLogP4.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874170
5-chloro-N-ethyl-4-(4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863200
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
5-chloro-N-ethyl-4-quinolin-5-yloxypyrimidin-2-amine
CID 103046129
[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80915153
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760116
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
4-(5-chloro-2-nitrophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80880446
5-chloro-N-ethyl-4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80871947

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine (CID 80869450) is 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine is CCNc1ncc(Cl)c(Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine?
The InChIKey is IAAZDCCQUFQBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O/c1-2-16-12-17-6-9(15)11(18-12)19-10-4-3-7(13)5-8(10)14/h3-6H,2H2,1H3,(H,16,17,18).
What are the key properties of 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine?
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine has a molecular weight of 318.59 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80869450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).