2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine

C17H29N3O — CID 106207657

IUPAC2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCCC2CCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H29N3O/c1-5-10-18-14-12-15(20-16(19-14)17(2,3)4)21-11-9-13-7-6-8-13/h12-13H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyJJHRNSQKAPOYJG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.16
Rot. Bonds7

About 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine

2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine (PubChem CID 106207657) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
PubChem CID106207657
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCCC2CCC2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H29N3O/c1-5-10-18-14-12-15(20-16(19-14)17(2,3)4)21-11-9-13-7-6-8-13/h12-13H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyJJHRNSQKAPOYJG-UHFFFAOYSA-N
XLogP4.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 114158202
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433
6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
CID 106207668
6-(2-cyclobutylethoxy)-N-propylpyrazin-2-amine
CID 114158245
2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82456857
6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921
2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80966505
6-butoxy-2-tert-butyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456917
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
6-(2-cyclopropylethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106207591

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine (CID 106207657) is 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(OCCC2CCC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine?
The InChIKey is JJHRNSQKAPOYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-10-18-14-12-15(20-16(19-14)17(2,3)4)21-11-9-13-7-6-8-13/h12-13H,5-11H2,1-4H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine?
2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106207657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).