2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

C13H13Cl2N3O — CID 80653912

IUPAC2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3O/c1-8-3-12(16-2)18-13(17-8)7-19-11-5-9(14)4-10(15)6-11/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyGKUXJYSJYHYUQC-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.71
Rot. Bonds4

About 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80653912) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80653912
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3O/c1-8-3-12(16-2)18-13(17-8)7-19-11-5-9(14)4-10(15)6-11/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyGKUXJYSJYHYUQC-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80654917
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663360
2-[(3-chloro-2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116689908
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
3,5-dimethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methoxy]benzonitrile
CID 80664092
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663952
[2-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656343

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80653912) is 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is GKUXJYSJYHYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-8-3-12(16-2)18-13(17-8)7-19-11-5-9(14)4-10(15)6-11/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 298.17 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80653912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).