2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile

C12H11N5 — CID 136995780

IUPAC2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)nc2n1CCCN2
InChIInChI=1S/C12H11N5/c13-8-10-11(9-2-5-14-6-3-9)16-12-15-4-1-7-17(10)12/h2-3,5-6H,1,4,7H2,(H,15,16)
InChIKeyCFVNBMQCBBATKI-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.63
Rot. Bonds1

About 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile

2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 136995780) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
PubChem CID136995780
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)nc2n1CCCN2
InChIInChI=1S/C12H11N5/c13-8-10-11(9-2-5-14-6-3-9)16-12-15-4-1-7-17(10)12/h2-3,5-6H,1,4,7H2,(H,15,16)
InChIKeyCFVNBMQCBBATKI-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

Analyze 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile (CID 136995780) is 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile is N#Cc1c(-c2ccncc2)nc2n1CCCN2.
What is the InChIKey of 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is CFVNBMQCBBATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-8-10-11(9-2-5-14-6-3-9)16-12-15-4-1-7-17(10)12/h2-3,5-6H,1,4,7H2,(H,15,16).
What are the key properties of 2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
2-pyridin-4-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-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 136995780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).