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

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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).