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

C13H19N5 — CID 136995791

IUPAC2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
SMILESCN1CCCC(c2nc3n(c2C#N)CCCN3)C1
InChIInChI=1S/C13H19N5/c1-17-6-2-4-10(9-17)12-11(8-14)18-7-3-5-15-13(18)16-12/h10H,2-7,9H2,1H3,(H,15,16)
InChIKeyFSWWXHASOMRXPF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.38
Rot. Bonds1

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

2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 136995791) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
PubChem CID136995791
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
SMILESCN1CCCC(c2nc3n(c2C#N)CCCN3)C1
InChIInChI=1S/C13H19N5/c1-17-6-2-4-10(9-17)12-11(8-14)18-7-3-5-15-13(18)16-12/h10H,2-7,9H2,1H3,(H,15,16)
InChIKeyFSWWXHASOMRXPF-UHFFFAOYSA-N
XLogP1.38
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine
CID 3421878
2-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
CID 136995780
5-methyl-4-[(3R)-1-methylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 177161274
2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile
CID 136995779
3-(1-methylpiperidin-3-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
CID 3430854
5-ethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7-diene
CID 136955356
5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867320
2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]butanenitrile
CID 116967494
3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine
CID 116856706
1-(4-iodophenyl)-3-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3969375
3-hydroxy-5-methyl-4-[7-(1-methylpiperidin-3-yl)-1,8-naphthyridin-2-yl]benzonitrile
CID 171085522
4-(1-methylpiperidin-3-yl)-2-piperazin-1-ylpyrimidine
CID 116900754

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile (CID 136995791) is 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile is CN1CCCC(c2nc3n(c2C#N)CCCN3)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is FSWWXHASOMRXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17-6-2-4-10(9-17)12-11(8-14)18-7-3-5-15-13(18)16-12/h10H,2-7,9H2,1H3,(H,15,16).
What are the key properties of 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile?
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 136995791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).