N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine

C15H19N3O — CID 80875932

IUPACN,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C15H19N3O/c1-9-6-7-10(2)14(12(9)4)19-13-8-11(3)17-15(16-5)18-13/h6-8H,1-5H3,(H,16,17,18)
InChIKeyRGPLVPJYVVPDRG-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.54
Rot. Bonds3

About N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine

N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine (PubChem CID 80875932) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
PubChem CID80875932
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C15H19N3O/c1-9-6-7-10(2)14(12(9)4)19-13-8-11(3)17-15(16-5)18-13/h6-8H,1-5H3,(H,16,17,18)
InChIKeyRGPLVPJYVVPDRG-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine
CID 80875832
4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80864197
2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80941455
4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80879463
N,4-dimethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
CID 81342537
4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine
CID 80865760
N,4-dimethyl-6-quinolin-5-yloxypyrimidin-2-amine
CID 103046138
4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide
CID 80882151
4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 82718901
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
N,4-dimethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116794381
N,4-dimethyl-6-(2-methylpropoxy)pyrimidin-2-amine
CID 80860281

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine (CID 80875932) is N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine is CNc1nc(C)cc(Oc2c(C)ccc(C)c2C)n1.
What is the InChIKey of N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine?
The InChIKey is RGPLVPJYVVPDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-6-7-10(2)14(12(9)4)19-13-8-11(3)17-15(16-5)18-13/h6-8H,1-5H3,(H,16,17,18).
What are the key properties of N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine?
N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80875932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).