6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine

C12H11N5 — CID 139454419

IUPAC6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine
SMILESCc1[nH]cnc1-c1ccc2ncnc(N)c2c1
InChIInChI=1S/C12H11N5/c1-7-11(16-5-14-7)8-2-3-10-9(4-8)12(13)17-6-15-10/h2-6H,1H3,(H,14,16)(H2,13,15,17)
InChIKeySNMGMLJNSUGPDJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.91
Rot. Bonds1

About 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine

6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine (PubChem CID 139454419) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine
PubChem CID139454419
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine
SMILESCc1[nH]cnc1-c1ccc2ncnc(N)c2c1
InChIInChI=1S/C12H11N5/c1-7-11(16-5-14-7)8-2-3-10-9(4-8)12(13)17-6-15-10/h2-6H,1H3,(H,14,16)(H2,13,15,17)
InChIKeySNMGMLJNSUGPDJ-UHFFFAOYSA-N
XLogP1.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine?
The IUPAC name of 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine (CID 139454419) is 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine?
The canonical SMILES for 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine is Cc1[nH]cnc1-c1ccc2ncnc(N)c2c1.
What is the InChIKey of 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine?
The InChIKey is SNMGMLJNSUGPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-7-11(16-5-14-7)8-2-3-10-9(4-8)12(13)17-6-15-10/h2-6H,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine?
6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine has a molecular weight of 225.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 139454419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).