5-iodo-2-methylquinazolin-4-amine

C9H8IN3 — CID 133060657

IUPAC5-iodo-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2c(I)cccc2n1
InChIInChI=1S/C9H8IN3/c1-5-12-7-4-2-3-6(10)8(7)9(11)13-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyWXYDMMRLOCJKGE-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.13
Rot. Bonds

About 5-iodo-2-methylquinazolin-4-amine

5-iodo-2-methylquinazolin-4-amine (PubChem CID 133060657) has the molecular formula C9H8IN3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 5-iodo-2-methylquinazolin-4-amine.

Molecular Properties

Compound Name5-iodo-2-methylquinazolin-4-amine
PubChem CID133060657
Molecular FormulaC9H8IN3
Molecular Weight285.09 g/mol
Exact Mass284.98
IUPAC Name5-iodo-2-methylquinazolin-4-amine
SMILESCc1nc(N)c2c(I)cccc2n1
InChIInChI=1S/C9H8IN3/c1-5-12-7-4-2-3-6(10)8(7)9(11)13-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyWXYDMMRLOCJKGE-UHFFFAOYSA-N
XLogP2.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methylquinazolin-4-amine
CID 133060351
8-methylpyrido[2,3-f]quinazolin-10-amine
CID 13101569
4,5-difluoro-2-methylquinazoline
CID 141141506
2-(2-fluoro-3-methylphenyl)-5-methylquinazolin-4-amine
CID 81478771
2-chloro-5-fluoroquinazolin-4-amine
CID 34181642
5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine
CID 143790682
6-fluoro-2-methylquinazolin-4-amine
CID 105436760
2,7-dimethylquinazolin-4-amine
CID 59095817
2,5-dichloroquinazolin-4-amine
CID 34181658
5-methylquinazoline-2,4,6-triamine
CID 13413778
5,6-dimethylquinazoline-2,4-diamine
CID 15152355
5,7-dimethoxy-2-methylquinazolin-4-amine
CID 121232340

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methylquinazolin-4-amine?
The IUPAC name of 5-iodo-2-methylquinazolin-4-amine (CID 133060657) is 5-iodo-2-methylquinazolin-4-amine.
What is the SMILES notation for 5-iodo-2-methylquinazolin-4-amine?
The canonical SMILES for 5-iodo-2-methylquinazolin-4-amine is Cc1nc(N)c2c(I)cccc2n1.
What is the InChIKey of 5-iodo-2-methylquinazolin-4-amine?
The InChIKey is WXYDMMRLOCJKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3/c1-5-12-7-4-2-3-6(10)8(7)9(11)13-5/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 5-iodo-2-methylquinazolin-4-amine?
5-iodo-2-methylquinazolin-4-amine has a molecular weight of 285.09 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methylquinazolin-4-amine is sourced from PubChem (CID 133060657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).