6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine

C15H18ClN3O — CID 80869041

IUPAC6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(Cl)cc2C)c1CC
InChIInChI=1S/C15H18ClN3O/c1-4-12-14(17-5-2)18-9-19-15(12)20-13-7-6-11(16)8-10(13)3/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyDBCIMUBJCMPCOH-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.22
Rot. Bonds5

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

6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine (PubChem CID 80869041) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
PubChem CID80869041
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(Cl)cc2C)c1CC
InChIInChI=1S/C15H18ClN3O/c1-4-12-14(17-5-2)18-9-19-15(12)20-13-7-6-11(16)8-10(13)3/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyDBCIMUBJCMPCOH-UHFFFAOYSA-N
XLogP4.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80875890
N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
5-bromo-6-(4-chloro-2-methylphenoxy)-N-methylpyrimidin-4-amine
CID 114073252
6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80878189
6-N,5-diethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80783685
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80864915
N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80878962
N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine
CID 106598749
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine (CID 80869041) is 6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(Oc2ccc(Cl)cc2C)c1CC.
What is the InChIKey of 6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine?
The InChIKey is DBCIMUBJCMPCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-12-14(17-5-2)18-9-19-15(12)20-13-7-6-11(16)8-10(13)3/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine?
6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80869041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).