2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

C15H23N3 — CID 113383589

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C2CC3CCC2C3)nc(C)c1C
InChIInChI=1S/C15H23N3/c1-4-16-14-9(2)10(3)17-15(18-14)13-8-11-5-6-12(13)7-11/h11-13H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyCEUPMMZFOAGWLW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.43
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 113383589) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID113383589
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C2CC3CCC2C3)nc(C)c1C
InChIInChI=1S/C15H23N3/c1-4-16-14-9(2)10(3)17-15(18-14)13-8-11-5-6-12(13)7-11/h11-13H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyCEUPMMZFOAGWLW-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80817925
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 79974023
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 113383365
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
4-N-ethyl-5,6-dimethylpyrimidine-2,4-diamine
CID 137384091
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine
CID 106575477
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431749
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80988896
2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985452
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80980816

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 113383589) is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(C2CC3CCC2C3)nc(C)c1C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is CEUPMMZFOAGWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-16-14-9(2)10(3)17-15(18-14)13-8-11-5-6-12(13)7-11/h11-13H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 113383589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).