6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine

C16H21N3O — CID 80989669

IUPAC6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H21N3O/c1-5-6-14-18-15(17)12(4)16(19-14)20-13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyCSSUZAAADTVSML-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.73
Rot. Bonds4

About 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine

6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80989669) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80989669
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H21N3O/c1-5-6-14-18-15(17)12(4)16(19-14)20-13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyCSSUZAAADTVSML-UHFFFAOYSA-N
XLogP3.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine (CID 80989669) is 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(Oc2ccc(C)c(C)c2)n1.
What is the InChIKey of 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is CSSUZAAADTVSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-6-14-18-15(17)12(4)16(19-14)20-13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine?
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80989669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).