4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C14H23N5 — CID 80777662

IUPAC4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CN3CCC2CC3)c1C
InChIInChI=1S/C14H23N5/c1-3-15-13-10(2)14(17-9-16-13)18-12-8-19-6-4-11(12)5-7-19/h9,11-12H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyKXOAROUATYVGJB-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.72
Rot. Bonds4

About 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80777662) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80777662
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CN3CCC2CC3)c1C
InChIInChI=1S/C14H23N5/c1-3-15-13-10(2)14(17-9-16-13)18-12-8-19-6-4-11(12)5-7-19/h9,11-12H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyKXOAROUATYVGJB-UHFFFAOYSA-N
XLogP1.72
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853390
N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55229488
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856004
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80981730
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 81001780
4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819298
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80840348
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62167440
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one
CID 80817246

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80777662) is 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NC2CN3CCC2CC3)c1C.
What is the InChIKey of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is KXOAROUATYVGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-15-13-10(2)14(17-9-16-13)18-12-8-19-6-4-11(12)5-7-19/h9,11-12H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80777662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).