N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine

C15H19N3O — CID 80875633

IUPACN,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
SMILESCNc1ncnc(Oc2c(C)ccc(C)c2C)c1C
InChIInChI=1S/C15H19N3O/c1-9-6-7-10(2)13(11(9)3)19-15-12(4)14(16-5)17-8-18-15/h6-8H,1-5H3,(H,16,17,18)
InChIKeyPWGRQDKVGQTQBT-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.54
Rot. Bonds3

About N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine

N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine (PubChem CID 80875633) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
PubChem CID80875633
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
SMILESCNc1ncnc(Oc2c(C)ccc(C)c2C)c1C
InChIInChI=1S/C15H19N3O/c1-9-6-7-10(2)13(11(9)3)19-15-12(4)14(16-5)17-8-18-15/h6-8H,1-5H3,(H,16,17,18)
InChIKeyPWGRQDKVGQTQBT-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

6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864217
6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864099
6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80875455
6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 82717800
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076
6-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80873099
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80874410
6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80879079
N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80870457
3-fluoro-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669781
6-(2,3-dimethylphenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80864818
N,5-dimethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608806

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine (CID 80875633) is N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine is CNc1ncnc(Oc2c(C)ccc(C)c2C)c1C.
What is the InChIKey of N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
The InChIKey is PWGRQDKVGQTQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-6-7-10(2)13(11(9)3)19-15-12(4)14(16-5)17-8-18-15/h6-8H,1-5H3,(H,16,17,18).
What are the key properties of N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine?
N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-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,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80875633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).