6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine

C16H21N3O — CID 80881297

IUPAC6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCCC(C)c1ccccc1Oc1nc(C)nc(N)c1C
InChIInChI=1S/C16H21N3O/c1-5-10(2)13-8-6-7-9-14(13)20-16-11(3)15(17)18-12(4)19-16/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyKRHZVMHOEDLHAD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.98
Rot. Bonds4

About 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine

6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine (PubChem CID 80881297) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine
PubChem CID80881297
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCCC(C)c1ccccc1Oc1nc(C)nc(N)c1C
InChIInChI=1S/C16H21N3O/c1-5-10(2)13-8-6-7-9-14(13)20-16-11(3)15(17)18-12(4)19-16/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyKRHZVMHOEDLHAD-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
4-(2-butan-2-ylphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80874080
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80864721
5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 114408523
6-(2,3-difluorophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80880333
2-(2-butan-2-ylphenoxy)-3-chloroaniline
CID 43101029
6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
CID 80941065
6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 102760712
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916193
3-(2-butan-2-ylphenoxy)-5-fluoroaniline
CID 80752812
[4-(2-butan-2-ylphenoxy)-3-methylphenyl]methanamine
CID 63458562

Frequently Asked Questions

What is the IUPAC name of 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine (CID 80881297) is 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine is CCC(C)c1ccccc1Oc1nc(C)nc(N)c1C.
What is the InChIKey of 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is KRHZVMHOEDLHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-10(2)13-8-6-7-9-14(13)20-16-11(3)15(17)18-12(4)19-16/h6-10H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine?
6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80881297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).