2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile

C8H7N5 — CID 55266924

IUPAC2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2nc(CN)cn2c1
InChIInChI=1S/C8H7N5/c9-1-6-3-11-8-12-7(2-10)5-13(8)4-6/h3-5H,2,10H2
InChIKeyZJRVNEMVSPQKRI-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.06
Rot. Bonds1

About 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile

2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile (PubChem CID 55266924) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile
PubChem CID55266924
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2nc(CN)cn2c1
InChIInChI=1S/C8H7N5/c9-1-6-3-11-8-12-7(2-10)5-13(8)4-6/h3-5H,2,10H2
InChIKeyZJRVNEMVSPQKRI-UHFFFAOYSA-N
XLogP0.06
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile (CID 55266924) is 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile is N#Cc1cnc2nc(CN)cn2c1.
What is the InChIKey of 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile?
The InChIKey is ZJRVNEMVSPQKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c9-1-6-3-11-8-12-7(2-10)5-13(8)4-6/h3-5H,2,10H2.
What are the key properties of 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile?
2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile has a molecular weight of 173.18 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)imidazo[1,2-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 55266924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).