6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine

C15H17Cl2N3O — CID 80875220

IUPAC6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(Cl)c(Cl)c2)c1CC
InChIInChI=1S/C15H17Cl2N3O/c1-3-7-18-14-11(4-2)15(20-9-19-14)21-10-5-6-12(16)13(17)8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyIVUVLOJERUEBGP-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.96
Rot. Bonds6

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

6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80875220) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
PubChem CID80875220
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(Cl)c(Cl)c2)c1CC
InChIInChI=1S/C15H17Cl2N3O/c1-3-7-18-14-11(4-2)15(20-9-19-14)21-10-5-6-12(16)13(17)8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyIVUVLOJERUEBGP-UHFFFAOYSA-N
XLogP4.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-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

6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879508
6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
CID 19135502
N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80875890
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80878962

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine (CID 80875220) is 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Oc2ccc(Cl)c(Cl)c2)c1CC.
What is the InChIKey of 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is IVUVLOJERUEBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-3-7-18-14-11(4-2)15(20-9-19-14)21-10-5-6-12(16)13(17)8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine?
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 326.23 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80875220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).