2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

C14H23N5 — CID 79974023

IUPAC2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C2CN3CCN2CC3)nc(C)c1C
InChIInChI=1S/C14H23N5/c1-4-15-13-10(2)11(3)16-14(17-13)12-9-18-5-7-19(12)8-6-18/h12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyOYVIKHISRXXXAI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.20
Rot. Bonds3

About 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 79974023) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID79974023
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C2CN3CCN2CC3)nc(C)c1C
InChIInChI=1S/C14H23N5/c1-4-15-13-10(2)11(3)16-14(17-13)12-9-18-5-7-19(12)8-6-18/h12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyOYVIKHISRXXXAI-UHFFFAOYSA-N
XLogP1.20
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79961334
[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 79973693
ethyl 4-amino-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methylpyrimidine-5-carboxylate
CID 116647825
5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 79961331
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 79961160
2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-1,4-diazabicyclo[2.2.2]octane
CID 79969290
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 113383589
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 115415736
4-N-ethyl-5,6-dimethylpyrimidine-2,4-diamine
CID 137384091
5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylpyrimidin-4-amine
CID 79974791
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133399802
[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 79961342

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 79974023) is 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(C2CN3CCN2CC3)nc(C)c1C.
What is the InChIKey of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is OYVIKHISRXXXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-15-13-10(2)11(3)16-14(17-13)12-9-18-5-7-19(12)8-6-18/h12H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 79974023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).