3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile

C15H18N6 — CID 75496477

IUPAC3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile
SMILESCc1cc(C)n2cc(CN(CCC#N)CCC#N)nc2n1
InChIInChI=1S/C15H18N6/c1-12-9-13(2)21-11-14(19-15(21)18-12)10-20(7-3-5-16)8-4-6-17/h9,11H,3-4,7-8,10H2,1-2H3
InChIKeyGDDDATPQXXSSIN-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.98
Rot. Bonds6

About 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile

3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile (PubChem CID 75496477) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile
PubChem CID75496477
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile
SMILESCc1cc(C)n2cc(CN(CCC#N)CCC#N)nc2n1
InChIInChI=1S/C15H18N6/c1-12-9-13(2)21-11-14(19-15(21)18-12)10-20(7-3-5-16)8-4-6-17/h9,11H,3-4,7-8,10H2,1-2H3
InChIKeyGDDDATPQXXSSIN-UHFFFAOYSA-N
XLogP1.98
TPSA81.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile?
The IUPAC name of 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile (CID 75496477) is 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile?
The canonical SMILES for 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile is Cc1cc(C)n2cc(CN(CCC#N)CCC#N)nc2n1.
What is the InChIKey of 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile?
The InChIKey is GDDDATPQXXSSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-12-9-13(2)21-11-14(19-15(21)18-12)10-20(7-3-5-16)8-4-6-17/h9,11H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile?
3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile has a molecular weight of 282.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 75496477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).