N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C15H24N4O — CID 66319026

IUPACN-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOc1cc(N(CC)C2CC3CCC(C2)N3)ncn1
InChIInChI=1S/C15H24N4O/c1-3-19(13-7-11-5-6-12(8-13)18-11)14-9-15(20-4-2)17-10-16-14/h9-13,18H,3-8H2,1-2H3
InChIKeyWIYQEBWHIRJAEC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.98
Rot. Bonds5

About N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 66319026) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID66319026
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOc1cc(N(CC)C2CC3CCC(C2)N3)ncn1
InChIInChI=1S/C15H24N4O/c1-3-19(13-7-11-5-6-12(8-13)18-11)14-9-15(20-4-2)17-10-16-14/h9-13,18H,3-8H2,1-2H3
InChIKeyWIYQEBWHIRJAEC-UHFFFAOYSA-N
XLogP1.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
CID 66317669
4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 79112428
N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114600871
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62132381
6-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-sulfonamide
CID 61232507
N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62138054
N-propyl-N-pyrazin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232893
N-(2-bromocyclohexyl)-6-ethoxy-N-methylpyrimidin-4-amine
CID 102637637
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine
CID 66334187
4-ethoxy-6-piperidin-4-yloxypyrimidine
CID 66320800

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 66319026) is N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCOc1cc(N(CC)C2CC3CCC(C2)N3)ncn1.
What is the InChIKey of N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WIYQEBWHIRJAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-19(13-7-11-5-6-12(8-13)18-11)14-9-15(20-4-2)17-10-16-14/h9-13,18H,3-8H2,1-2H3.
What are the key properties of N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 66319026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).