2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine

C14H16ClN3O — CID 95481914

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(Cl)c(C)c1-c1nc(C)cc(N)n1
InChIInChI=1S/C14H16ClN3O/c1-7-5-10(19-4)12(9(3)13(7)15)14-17-8(2)6-11(16)18-14/h5-6H,1-4H3,(H2,16,17,18)
InChIKeyDFWUKLXPERTXRM-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.31
Rot. Bonds2

About 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine (PubChem CID 95481914) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine
PubChem CID95481914
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(Cl)c(C)c1-c1nc(C)cc(N)n1
InChIInChI=1S/C14H16ClN3O/c1-7-5-10(19-4)12(9(3)13(7)15)14-17-8(2)6-11(16)18-14/h5-6H,1-4H3,(H2,16,17,18)
InChIKeyDFWUKLXPERTXRM-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

2-(2-methoxy-4,5-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 82293771
2-(4-methoxy-2,5-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 82293776
4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine
CID 43557849
6-amino-2-(4-methoxy-2,3,6-trimethylphenyl)pyrimidine-4-carbonitrile
CID 116862722
4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole
CID 116892207
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 78909887
5-chloro-3-methoxy-2-methylaniline
CID 97179579
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one
CID 116966090
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine (CID 95481914) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine is COc1cc(C)c(Cl)c(C)c1-c1nc(C)cc(N)n1.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is DFWUKLXPERTXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-7-5-10(19-4)12(9(3)13(7)15)14-17-8(2)6-11(16)18-14/h5-6H,1-4H3,(H2,16,17,18).
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-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 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 95481914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).