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

C11H16N4 — CID 80805296

IUPAC6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2CC3CCC2C3)n1
InChIInChI=1S/C11H16N4/c1-7-13-10(12)5-11(14-7)15-6-8-2-3-9(15)4-8/h5,8-9H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeyNYLOCLVVIPTOIN-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.36
Rot. Bonds1

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

6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 80805296) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine
PubChem CID80805296
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2CC3CCC2C3)n1
InChIInChI=1S/C11H16N4/c1-7-13-10(12)5-11(14-7)15-6-8-2-3-9(15)4-8/h5,8-9H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeyNYLOCLVVIPTOIN-UHFFFAOYSA-N
XLogP1.36
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine (CID 80805296) is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(N2CC3CCC2C3)n1.
What is the InChIKey of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is NYLOCLVVIPTOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7-13-10(12)5-11(14-7)15-6-8-2-3-9(15)4-8/h5,8-9H,2-4,6H2,1H3,(H2,12,13,14).
What are the key properties of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine?
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 204.28 g/mol, XLogP of 1.36, 1 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-methylpyrimidin-4-amine is sourced from PubChem (CID 80805296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).