5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine

C12H12N6 — CID 67309469

IUPAC5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine
SMILESCn1cnc(-c2cccc3nc(N)nc(N)c23)c1
InChIInChI=1S/C12H12N6/c1-18-5-9(15-6-18)7-3-2-4-8-10(7)11(13)17-12(14)16-8/h2-6H,1H3,(H4,13,14,16,17)
InChIKeyBOZGELSMRMJVRC-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.19
Rot. Bonds1

About 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine

5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine (PubChem CID 67309469) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine
PubChem CID67309469
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine
SMILESCn1cnc(-c2cccc3nc(N)nc(N)c23)c1
InChIInChI=1S/C12H12N6/c1-18-5-9(15-6-18)7-3-2-4-8-10(7)11(13)17-12(14)16-8/h2-6H,1H3,(H4,13,14,16,17)
InChIKeyBOZGELSMRMJVRC-UHFFFAOYSA-N
XLogP1.19
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine?
The IUPAC name of 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine (CID 67309469) is 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine?
The canonical SMILES for 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine is Cn1cnc(-c2cccc3nc(N)nc(N)c23)c1.
What is the InChIKey of 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine?
The InChIKey is BOZGELSMRMJVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-18-5-9(15-6-18)7-3-2-4-8-10(7)11(13)17-12(14)16-8/h2-6H,1H3,(H4,13,14,16,17).
What are the key properties of 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine?
5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 67309469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).