N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

C14H21N5O — CID 136745665

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cn2c(n1)NCCC2
InChIInChI=1S/C14H21N5O/c20-13(12-9-19-5-1-4-15-14(19)17-12)16-11-8-18-6-2-10(11)3-7-18/h9-11H,1-8H2,(H,15,17)(H,16,20)
InChIKeyHHJXZBGLWPRBPJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.52
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136745665) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136745665
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1cn2c(n1)NCCC2
InChIInChI=1S/C14H21N5O/c20-13(12-9-19-5-1-4-15-14(19)17-12)16-11-8-18-6-2-10(11)3-7-18/h9-11H,1-8H2,(H,15,17)(H,16,20)
InChIKeyHHJXZBGLWPRBPJ-UHFFFAOYSA-N
XLogP0.52
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136745665) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NC1CN2CCC1CC2)c1cn2c(n1)NCCC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is HHJXZBGLWPRBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c20-13(12-9-19-5-1-4-15-14(19)17-12)16-11-8-18-6-2-10(11)3-7-18/h9-11H,1-8H2,(H,15,17)(H,16,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136745665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).