2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine

C16H21N3O — CID 80864721

IUPAC2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCc1ccc(C(C)C)c(Oc2nc(C)nc(N)c2C)c1
InChIInChI=1S/C16H21N3O/c1-9(2)13-7-6-10(3)8-14(13)20-16-11(4)15(17)18-12(5)19-16/h6-9H,1-5H3,(H2,17,18,19)
InChIKeyDLGKMFNOGCSJBJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.90
Rot. Bonds3

About 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine

2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine (PubChem CID 80864721) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
PubChem CID80864721
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCc1ccc(C(C)C)c(Oc2nc(C)nc(N)c2C)c1
InChIInChI=1S/C16H21N3O/c1-9(2)13-7-6-10(3)8-14(13)20-16-11(4)15(17)18-12(5)19-16/h6-9H,1-5H3,(H2,17,18,19)
InChIKeyDLGKMFNOGCSJBJ-UHFFFAOYSA-N
XLogP3.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 79021239
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
5-bromo-4-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104507226
6-(3,5-dimethylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80864323
6-(2-butan-2-ylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80881297
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015
[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 61176130
[5-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80915965
6-(4-tert-butyl-2-methylphenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80874854
2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80941059
4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 63511383
[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256294

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine (CID 80864721) is 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine is Cc1ccc(C(C)C)c(Oc2nc(C)nc(N)c2C)c1.
What is the InChIKey of 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine?
The InChIKey is DLGKMFNOGCSJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-9(2)13-7-6-10(3)8-14(13)20-16-11(4)15(17)18-12(5)19-16/h6-9H,1-5H3,(H2,17,18,19).
What are the key properties of 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine?
2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80864721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).