5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine

C14H15Cl2N3O — CID 166806041

IUPAC5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(C)c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-4-17-14-13(8(2)18-9(3)19-14)20-12-6-5-10(15)7-11(12)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyQKDDIAJQPWTXPJ-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.62
Rot. Bonds4

About 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine

5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine (PubChem CID 166806041) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine
PubChem CID166806041
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(C)c1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-4-17-14-13(8(2)18-9(3)19-14)20-12-6-5-10(15)7-11(12)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyQKDDIAJQPWTXPJ-UHFFFAOYSA-N
XLogP4.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-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-(4-bromo-2-chlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80881509
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine
CID 13059758
4-N-(4-chloro-2-fluorophenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80800979
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60699117
6-(2-chloro-4-nitrophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 80878741

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine (CID 166806041) is 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine is CCNc1nc(C)nc(C)c1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine?
The InChIKey is QKDDIAJQPWTXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-4-17-14-13(8(2)18-9(3)19-14)20-12-6-5-10(15)7-11(12)16/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine?
5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine has a molecular weight of 312.20 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 166806041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).