4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine

C13H14ClN3O — CID 80863471

IUPAC4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(Oc2c(C)cc(Cl)cc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-8-6-10(14)7-9(2)12(8)18-11-4-5-16-13(15-3)17-11/h4-7H,1-3H3,(H,15,16,17)
InChIKeyZNILNBOGHOXULL-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.58
Rot. Bonds3

About 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine

4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine (PubChem CID 80863471) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine
PubChem CID80863471
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(Oc2c(C)cc(Cl)cc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-8-6-10(14)7-9(2)12(8)18-11-4-5-16-13(15-3)17-11/h4-7H,1-3H3,(H,15,16,17)
InChIKeyZNILNBOGHOXULL-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(4-chloro-2,6-dimethylphenoxy)pyridine
CID 63586143
4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80877014
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
[4-(5-chloro-2-methylphenoxy)pyrimidin-2-yl]hydrazine
CID 80922000
4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80862377
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80869209
[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62296897
(E)-3-[4-(2-chloropyrimidin-4-yl)oxy-3,5-dimethylphenyl]prop-2-enenitrile
CID 155678386
6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80863333
6-(4-chloro-2,6-dimethylphenoxy)pyridine-3-carbaldehyde
CID 80632849
N-methyl-4-(4-methylsulfonylphenoxy)pyrimidin-2-amine
CID 80874009
N-methyl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 63550138

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine (CID 80863471) is 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine is CNc1nccc(Oc2c(C)cc(Cl)cc2C)n1.
What is the InChIKey of 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine?
The InChIKey is ZNILNBOGHOXULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-6-10(14)7-9(2)12(8)18-11-4-5-16-13(15-3)17-11/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine?
4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80863471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).