6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine

C17H28N4 — CID 80987495

IUPAC6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(N2CC3CCC2C3)c1C
InChIInChI=1S/C17H28N4/c1-6-18-14-11(2)15(20-16(19-14)17(3,4)5)21-10-12-7-8-13(21)9-12/h12-13H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyVYCLWBRXTUBZQH-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.50
Rot. Bonds3

About 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine

6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80987495) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80987495
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(N2CC3CCC2C3)c1C
InChIInChI=1S/C17H28N4/c1-6-18-14-11(2)15(20-16(19-14)17(3,4)5)21-10-12-7-8-13(21)9-12/h12-13H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyVYCLWBRXTUBZQH-UHFFFAOYSA-N
XLogP3.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine with MolForge

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Related Compounds

2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80987881
6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771326
2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80989029
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80804390
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine
CID 114542031
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985371
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 80991880
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80994714
2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80993569
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
N-ethyl-2,5-dimethyl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-amine
CID 114597881

Frequently Asked Questions

What is the IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine (CID 80987495) is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(N2CC3CCC2C3)c1C.
What is the InChIKey of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is VYCLWBRXTUBZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-6-18-14-11(2)15(20-16(19-14)17(3,4)5)21-10-12-7-8-13(21)9-12/h12-13H,6-10H2,1-5H3,(H,18,19,20).
What are the key properties of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine?
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80987495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).