8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide

C9H12IN3 — CID 45263902

IUPAC8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide
SMILESCc1cccc2c1NC(N)=NC2.I
InChIInChI=1S/C9H11N3.HI/c1-6-3-2-4-7-5-11-9(10)12-8(6)7;/h2-4H,5H2,1H3,(H3,10,11,12);1H
InChIKeyWWMZXIOGSRQYPP-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.85
Rot. Bonds

About 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide

8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide (PubChem CID 45263902) has the molecular formula C9H12IN3 and a molecular weight of 289.12 g/mol. Its IUPAC name is 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide.

Molecular Properties

Compound Name8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide
PubChem CID45263902
Molecular FormulaC9H12IN3
Molecular Weight289.12 g/mol
Exact Mass289.01
IUPAC Name8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide
SMILESCc1cccc2c1NC(N)=NC2.I
InChIInChI=1S/C9H11N3.HI/c1-6-3-2-4-7-5-11-9(10)12-8(6)7;/h2-4H,5H2,1H3,(H3,10,11,12);1H
InChIKeyWWMZXIOGSRQYPP-UHFFFAOYSA-N
XLogP1.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide?
The IUPAC name of 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide (CID 45263902) is 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide.
What is the SMILES notation for 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide?
The canonical SMILES for 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide is Cc1cccc2c1NC(N)=NC2.I.
What is the InChIKey of 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide?
The InChIKey is WWMZXIOGSRQYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.HI/c1-6-3-2-4-7-5-11-9(10)12-8(6)7;/h2-4H,5H2,1H3,(H3,10,11,12);1H.
What are the key properties of 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide?
8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide has a molecular weight of 289.12 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dihydroquinazolin-2-amine;hydroiodide is sourced from PubChem (CID 45263902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).