6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine

C14H15Cl2N3O — CID 80869748

IUPAC6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(Cl)cc2Cl)c1CC
InChIInChI=1S/C14H15Cl2N3O/c1-3-10-13(17-4-2)18-8-19-14(10)20-12-6-5-9(15)7-11(12)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyYXZCESJFVCOPNY-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.57
Rot. Bonds5

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

6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine (PubChem CID 80869748) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
PubChem CID80869748
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(Cl)cc2Cl)c1CC
InChIInChI=1S/C14H15Cl2N3O/c1-3-10-13(17-4-2)18-8-19-14(10)20-12-6-5-9(15)7-11(12)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyYXZCESJFVCOPNY-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

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Related Compounds

6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869041
6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80875890
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80864915
4-chloro-6-(2,4-dichlorophenoxy)-5-propylpyrimidine
CID 63735554
6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80882073
5-chloro-4-(2,4-dichlorophenoxy)-N-ethylpyrimidin-2-amine
CID 80869450
5-(2,4-dichlorophenoxy)-N-ethyl-2,6-dimethylpyrimidin-4-amine
CID 166806041
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
4-(4-bromo-2-chlorophenoxy)-6-chloro-5-ethylpyrimidine
CID 63735722
N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80878962

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine (CID 80869748) is 6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(Oc2ccc(Cl)cc2Cl)c1CC.
What is the InChIKey of 6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine?
The InChIKey is YXZCESJFVCOPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-3-10-13(17-4-2)18-8-19-14(10)20-12-6-5-9(15)7-11(12)16/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine?
6-(2,4-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-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80869748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).