5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine

C13H23N3O — CID 80991169

IUPAC5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OC(C)C(C)C
InChIInChI=1S/C13H23N3O/c1-7(2)10(6)17-13-9(5)11(14)15-12(16-13)8(3)4/h7-8,10H,1-6H3,(H2,14,15,16)
InChIKeyNQKJJWXUKMTNGN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.91
Rot. Bonds4

About 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine

5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80991169) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80991169
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OC(C)C(C)C
InChIInChI=1S/C13H23N3O/c1-7(2)10(6)17-13-9(5)11(14)15-12(16-13)8(3)4/h7-8,10H,1-6H3,(H2,14,15,16)
InChIKeyNQKJJWXUKMTNGN-UHFFFAOYSA-N
XLogP2.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-6-(3-methylbutan-2-yloxy)pyrimidin-4-amine
CID 80882615
6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990527
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80989543
6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988180
6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988642
5-methyl-6-(3-methylbut-3-enoxy)-2-propan-2-ylpyrimidin-4-amine
CID 114471200
5-methyl-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80988435
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988578
6-(2-cyclobutylethoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114158255
6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81346478
6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989394
5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990262

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine (CID 80991169) is 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1OC(C)C(C)C.
What is the InChIKey of 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is NQKJJWXUKMTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-7(2)10(6)17-13-9(5)11(14)15-12(16-13)8(3)4/h7-8,10H,1-6H3,(H2,14,15,16).
What are the key properties of 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine?
5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80991169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).