2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine

C13H14ClN3O — CID 65022234

IUPAC2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-8-6-12(15-2)17-13(16-8)9-4-5-11(18-3)10(14)7-9/h4-7H,1-3H3,(H,15,16,17)
InChIKeyTXEXFTKPZYLKHG-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine

2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 65022234) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID65022234
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-8-6-12(15-2)17-13(16-8)9-4-5-11(18-3)10(14)7-9/h4-7H,1-3H3,(H,15,16,17)
InChIKeyTXEXFTKPZYLKHG-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190799
2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 65022275
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828
2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65022448
[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 65022279
6-tert-butyl-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 62203294
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65022151
3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
2-(3,4-dimethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318946
2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
CID 65022574
6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine
CID 63353878
2-methoxy-5-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62203451

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine (CID 65022234) is 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(-c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is TXEXFTKPZYLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-6-12(15-2)17-13(16-8)9-4-5-11(18-3)10(14)7-9/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine?
2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 65022234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).