6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H25N3O — CID 80990527

IUPAC6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCCC(C)(C)C
InChIInChI=1S/C14H25N3O/c1-9(2)12-16-11(15)10(3)13(17-12)18-8-7-14(4,5)6/h9H,7-8H2,1-6H3,(H2,15,16,17)
InChIKeyLYOZNJJCMQIOSW-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.31
Rot. Bonds4

About 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80990527) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80990527
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1OCCC(C)(C)C
InChIInChI=1S/C14H25N3O/c1-9(2)12-16-11(15)10(3)13(17-12)18-8-7-14(4,5)6/h9H,7-8H2,1-6H3,(H2,15,16,17)
InChIKeyLYOZNJJCMQIOSW-UHFFFAOYSA-N
XLogP3.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80989543
6-(2-cyclobutylethoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114158255
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
5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990497
5-methyl-6-(3-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-amine
CID 80991169
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
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988578
2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
CID 80988672
4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine
CID 66232023

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80990527) is 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1OCCC(C)(C)C.
What is the InChIKey of 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LYOZNJJCMQIOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9(2)12-16-11(15)10(3)13(17-12)18-8-7-14(4,5)6/h9H,7-8H2,1-6H3,(H2,15,16,17).
What are the key properties of 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80990527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).