6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine

C13H20N4 — CID 80961686

IUPAC6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CC3CCC2C3)n1
InChIInChI=1S/C13H20N4/c1-8(2)13-15-11(14)6-12(16-13)17-7-9-3-4-10(17)5-9/h6,8-10H,3-5,7H2,1-2H3,(H2,14,15,16)
InChIKeyIFUGHAHKDLUVIZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.17
Rot. Bonds2

About 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine

6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80961686) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80961686
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CC3CCC2C3)n1
InChIInChI=1S/C13H20N4/c1-8(2)13-15-11(14)6-12(16-13)17-7-9-3-4-10(17)5-9/h6,8-10H,3-5,7H2,1-2H3,(H2,14,15,16)
InChIKeyIFUGHAHKDLUVIZ-UHFFFAOYSA-N
XLogP2.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine
CID 80805296
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80959998
6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80968032
2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541833
2-[1-(6-amino-2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80955483
6-(3,4-dimethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80958087
6-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 102971409
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198636
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771328
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775519
2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloropyridine-4-carbonitrile
CID 83073978

Frequently Asked Questions

What is the IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80961686) is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(N2CC3CCC2C3)n1.
What is the InChIKey of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is IFUGHAHKDLUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8(2)13-15-11(14)6-12(16-13)17-7-9-3-4-10(17)5-9/h6,8-10H,3-5,7H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine?
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 232.33 g/mol, XLogP of 2.17, 2 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-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80961686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).