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

C13H19N3O — CID 66330992

IUPACN-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CC3CCC2C3)ncn1
InChIInChI=1S/C13H19N3O/c1-2-17-13-7-12(14-8-15-13)16-11-6-9-3-4-10(11)5-9/h7-11H,2-6H2,1H3,(H,14,15,16)
InChIKeyZHUQPQKABUOPMW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.48
Rot. Bonds4

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

N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine (PubChem CID 66330992) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine
PubChem CID66330992
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CC3CCC2C3)ncn1
InChIInChI=1S/C13H19N3O/c1-2-17-13-7-12(14-8-15-13)16-11-6-9-3-4-10(11)5-9/h7-11H,2-6H2,1H3,(H,14,15,16)
InChIKeyZHUQPQKABUOPMW-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine (CID 66330992) is N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine is CCOc1cc(NC2CC3CCC2C3)ncn1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine?
The InChIKey is ZHUQPQKABUOPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-17-13-7-12(14-8-15-13)16-11-6-9-3-4-10(11)5-9/h7-11H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine?
N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 66330992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).