2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile

C12H11N5 — CID 136995779

IUPAC2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)nc2n1CCCN2
InChIInChI=1S/C12H11N5/c13-7-10-11(9-3-1-4-14-8-9)16-12-15-5-2-6-17(10)12/h1,3-4,8H,2,5-6H2,(H,15,16)
InChIKeyMTZNKGVMWXJTEV-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.63
Rot. Bonds1

About 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile

2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 136995779) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
PubChem CID136995779
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2cccnc2)nc2n1CCCN2
InChIInChI=1S/C12H11N5/c13-7-10-11(9-3-1-4-14-8-9)16-12-15-5-2-6-17(10)12/h1,3-4,8H,2,5-6H2,(H,15,16)
InChIKeyMTZNKGVMWXJTEV-UHFFFAOYSA-N
XLogP1.63
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
CID 136995780
3-pyridin-3-yl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
CID 13375485
2-bromo-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 21255187
6-pyridin-3-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carbonitrile
CID 141064678
6-oxo-8-pyridin-3-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile
CID 166990364
2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219364
2-hydrazinyl-6-pyridin-3-ylpyridine-3-carbonitrile
CID 62252115
1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247708
[2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl]methanamine
CID 136995684
2-chloro-8-hydroxy-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 22012021
8-amino-2-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 22012144
3-pyridin-3-yl-1,2-oxazole-4-carbonitrile
CID 82280437

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile (CID 136995779) is 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile is N#Cc1c(-c2cccnc2)nc2n1CCCN2.
What is the InChIKey of 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is MTZNKGVMWXJTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-7-10-11(9-3-1-4-14-8-9)16-12-15-5-2-6-17(10)12/h1,3-4,8H,2,5-6H2,(H,15,16).
What are the key properties of 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 136995779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).