N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine

C13H19N3O2 — CID 115355152

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CC3CCC2C3)n1
InChIInChI=1S/C13H19N3O2/c1-17-11-7-12(18-2)16-13(15-11)14-10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFGCDPYJRAXNZNV-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.09
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 115355152) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID115355152
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1cc(OC)nc(NC2CC3CCC2C3)n1
InChIInChI=1S/C13H19N3O2/c1-17-11-7-12(18-2)16-13(15-11)14-10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFGCDPYJRAXNZNV-UHFFFAOYSA-N
XLogP2.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine (CID 115355152) is N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine is COc1cc(OC)nc(NC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is FGCDPYJRAXNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-17-11-7-12(18-2)16-13(15-11)14-10-6-8-3-4-9(10)5-8/h7-10H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 115355152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).