3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile

C13H9N5 — CID 82389497

IUPAC3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnc3ncc(N)n3c2)c1
InChIInChI=1S/C13H9N5/c14-5-9-2-1-3-10(4-9)11-6-16-13-17-7-12(15)18(13)8-11/h1-4,6-8H,15H2
InChIKeyCOJNLSUJCIEDIH-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.85
Rot. Bonds1

About 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile

3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile (PubChem CID 82389497) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile
PubChem CID82389497
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile
SMILESN#Cc1cccc(-c2cnc3ncc(N)n3c2)c1
InChIInChI=1S/C13H9N5/c14-5-9-2-1-3-10(4-9)11-6-16-13-17-7-12(15)18(13)8-11/h1-4,6-8H,15H2
InChIKeyCOJNLSUJCIEDIH-UHFFFAOYSA-N
XLogP1.85
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-aminoimidazo[1,2-a]pyrimidine-6-carbonitrile
CID 82415698
3-(6-amino-4-methyl-3-pyridinyl)benzonitrile
CID 79020234
3-(2-amino-1,3-thiazol-5-yl)benzonitrile
CID 61025504
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
CID 82556414
3-(1,5-diaminoimidazol-4-yl)benzonitrile
CID 62481562
3-(2-amino-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzonitrile
CID 82556574
3-(8-aminoisoquinolin-6-yl)benzonitrile
CID 59534866
3-(5,6-dimethoxy-3-pyridinyl)benzonitrile
CID 90046523
3-(2-amino-6-ethynyl-4-pyridinyl)benzonitrile
CID 135256062
3-[5-(3,5-diamino-1,2,4-triazol-1-yl)-2-pyridinyl]benzonitrile
CID 66694907
3-(4-amino-3-pyridinyl)benzonitrile
CID 79004011
3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile
CID 165475556

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile?
The IUPAC name of 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile (CID 82389497) is 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile.
What is the SMILES notation for 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile?
The canonical SMILES for 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile is N#Cc1cccc(-c2cnc3ncc(N)n3c2)c1.
What is the InChIKey of 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile?
The InChIKey is COJNLSUJCIEDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-5-9-2-1-3-10(4-9)11-6-16-13-17-7-12(15)18(13)8-11/h1-4,6-8H,15H2.
What are the key properties of 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile?
3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoimidazo[1,2-a]pyrimidin-6-yl)benzonitrile is sourced from PubChem (CID 82389497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).