6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine

C14H15Cl2N3O — CID 80875061

IUPAC6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(Oc2cc(Cl)cc(Cl)c2)c1C
InChIInChI=1S/C14H15Cl2N3O/c1-4-17-13-8(2)14(19-9(3)18-13)20-12-6-10(15)5-11(16)7-12/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyKIHXKQUSSZENQZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.62
Rot. Bonds4

About 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine

6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine (PubChem CID 80875061) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
PubChem CID80875061
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C)nc(Oc2cc(Cl)cc(Cl)c2)c1C
InChIInChI=1S/C14H15Cl2N3O/c1-4-17-13-8(2)14(19-9(3)18-13)20-12-6-10(15)5-11(16)7-12/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyKIHXKQUSSZENQZ-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 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-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-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
6-(4-bromo-2-chlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80881509
[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001306
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80875890
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine
CID 80878598
6-(5-chloro-2-methylphenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80870728
6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine
CID 80877684
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80859735
6-(4-chloro-3-fluorophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 82717795

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine (CID 80875061) is 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine is CCNc1nc(C)nc(Oc2cc(Cl)cc(Cl)c2)c1C.
What is the InChIKey of 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
The InChIKey is KIHXKQUSSZENQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-4-17-13-8(2)14(19-9(3)18-13)20-12-6-10(15)5-11(16)7-12/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine?
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-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 6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80875061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).