4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine

C14H16ClN3O — CID 98021439

IUPAC4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine
SMILESCOc1cc(C)c(Cl)cc1-c1nc(C)nc(C)c1N
InChIInChI=1S/C14H16ClN3O/c1-7-5-12(19-4)10(6-11(7)15)14-13(16)8(2)17-9(3)18-14/h5-6H,16H2,1-4H3
InChIKeyIXQBSFJXRIDGJP-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.31
Rot. Bonds2

About 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine

4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine (PubChem CID 98021439) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine
PubChem CID98021439
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine
SMILESCOc1cc(C)c(Cl)cc1-c1nc(C)nc(C)c1N
InChIInChI=1S/C14H16ClN3O/c1-7-5-12(19-4)10(6-11(7)15)14-13(16)8(2)17-9(3)18-14/h5-6H,16H2,1-4H3
InChIKeyIXQBSFJXRIDGJP-UHFFFAOYSA-N
XLogP3.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503
4-(2,4-dimethoxyphenyl)-2,6-dimethylpyrimidin-5-amine
CID 82484014
4-(2,4-dimethoxy-3-methylphenyl)-2,6-dimethylpyrimidin-5-amine
CID 96669062
2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82304626
4-(5-chloro-2-methoxy-4-methylphenyl)-5-methylthiophen-2-amine
CID 82487478
1-chloro-5-iodo-4-methoxy-2-methylbenzene
CID 68934334
4-(4-chloro-2-methoxyphenyl)-2-methyl-6-thiomorpholin-4-ylpyrimidin-5-amine
CID 83286295
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 82478513
1-[4-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 82541449
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine?
The IUPAC name of 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine (CID 98021439) is 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine?
The canonical SMILES for 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine is COc1cc(C)c(Cl)cc1-c1nc(C)nc(C)c1N.
What is the InChIKey of 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine?
The InChIKey is IXQBSFJXRIDGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-7-5-12(19-4)10(6-11(7)15)14-13(16)8(2)17-9(3)18-14/h5-6H,16H2,1-4H3.
What are the key properties of 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine?
4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine has a molecular weight of 277.76 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine is sourced from PubChem (CID 98021439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).