6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine

C12H11Cl2N3O — CID 80874308

IUPAC6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C12H11Cl2N3O/c1-2-15-11-6-12(17-7-16-11)18-8-3-4-9(13)10(14)5-8/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyYEKDHKUZXKMERV-UHFFFAOYSA-N
MW284.15 g/mol
LogP4.01
Rot. Bonds4

About 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine

6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine (PubChem CID 80874308) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
PubChem CID80874308
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C12H11Cl2N3O/c1-2-15-11-6-12(17-7-16-11)18-8-3-4-9(13)10(14)5-8/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyYEKDHKUZXKMERV-UHFFFAOYSA-N
XLogP4.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80863903
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-(3,4-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80874477
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 107727323
[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80917345
6-(2-bromo-4-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80881299
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875006
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
[6-(4-chloro-3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 82719273

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine (CID 80874308) is 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine is CCNc1cc(Oc2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine?
The InChIKey is YEKDHKUZXKMERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-2-15-11-6-12(17-7-16-11)18-8-3-4-9(13)10(14)5-8/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine?
6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine has a molecular weight of 284.15 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenoxy)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80874308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).