6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine

C14H15Cl2N3O — CID 80875890

IUPAC6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cc(Cl)cc(Cl)c2)c1CC
InChIInChI=1S/C14H15Cl2N3O/c1-3-12-13(17-4-2)18-8-19-14(12)20-11-6-9(15)5-10(16)7-11/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyCBGJFPJCIMTPMY-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.57
Rot. Bonds5

About 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine

6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine (PubChem CID 80875890) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
PubChem CID80875890
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cc(Cl)cc(Cl)c2)c1CC
InChIInChI=1S/C14H15Cl2N3O/c1-3-12-13(17-4-2)18-8-19-14(12)20-11-6-9(15)5-10(16)7-11/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyCBGJFPJCIMTPMY-UHFFFAOYSA-N
XLogP4.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869041
6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80878962
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
[6-[(5-chloro-3-pyridinyl)oxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80921561
6-(3,5-dichlorophenyl)-N,5-diethylpyrimidin-4-amine
CID 114879384
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine
CID 106598749

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine (CID 80875890) is 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(Oc2cc(Cl)cc(Cl)c2)c1CC.
What is the InChIKey of 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine?
The InChIKey is CBGJFPJCIMTPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-3-12-13(17-4-2)18-8-19-14(12)20-11-6-9(15)5-10(16)7-11/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine?
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine has a molecular weight of 312.20 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80875890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).