2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile

C15H14N6 — CID 22069327

IUPAC2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile
SMILESN#Cc1ccc2nc(N)nc(CCCn3ccnc3)c2c1
InChIInChI=1S/C15H14N6/c16-9-11-3-4-14-12(8-11)13(19-15(17)20-14)2-1-6-21-7-5-18-10-21/h3-5,7-8,10H,1-2,6H2,(H2,17,19,20)
InChIKeyYZIMYKBAWVOGTF-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile

2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile (PubChem CID 22069327) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile
PubChem CID22069327
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile
SMILESN#Cc1ccc2nc(N)nc(CCCn3ccnc3)c2c1
InChIInChI=1S/C15H14N6/c16-9-11-3-4-14-12(8-11)13(19-15(17)20-14)2-1-6-21-7-5-18-10-21/h3-5,7-8,10H,1-2,6H2,(H2,17,19,20)
InChIKeyYZIMYKBAWVOGTF-UHFFFAOYSA-N
XLogP1.91
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile?
The IUPAC name of 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile (CID 22069327) is 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile?
The canonical SMILES for 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile is N#Cc1ccc2nc(N)nc(CCCn3ccnc3)c2c1.
What is the InChIKey of 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile?
The InChIKey is YZIMYKBAWVOGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c16-9-11-3-4-14-12(8-11)13(19-15(17)20-14)2-1-6-21-7-5-18-10-21/h3-5,7-8,10H,1-2,6H2,(H2,17,19,20).
What are the key properties of 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile?
2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-imidazol-1-ylpropyl)quinazoline-6-carbonitrile is sourced from PubChem (CID 22069327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).