2-methylquinazolin-7-amine

C9H9N3 — CID 59164781

IUPAC2-methylquinazolin-7-amine
SMILESCc1ncc2ccc(N)cc2n1
InChIInChI=1S/C9H9N3/c1-6-11-5-7-2-3-8(10)4-9(7)12-6/h2-5H,10H2,1H3
InChIKeyUTDIQXNJBRSXSA-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.52
Rot. Bonds

About 2-methylquinazolin-7-amine

2-methylquinazolin-7-amine (PubChem CID 59164781) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-methylquinazolin-7-amine.

Molecular Properties

Compound Name2-methylquinazolin-7-amine
PubChem CID59164781
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-methylquinazolin-7-amine
SMILESCc1ncc2ccc(N)cc2n1
InChIInChI=1S/C9H9N3/c1-6-11-5-7-2-3-8(10)4-9(7)12-6/h2-5H,10H2,1H3
InChIKeyUTDIQXNJBRSXSA-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylquinazolin-7-amine?
The IUPAC name of 2-methylquinazolin-7-amine (CID 59164781) is 2-methylquinazolin-7-amine.
What is the SMILES notation for 2-methylquinazolin-7-amine?
The canonical SMILES for 2-methylquinazolin-7-amine is Cc1ncc2ccc(N)cc2n1.
What is the InChIKey of 2-methylquinazolin-7-amine?
The InChIKey is UTDIQXNJBRSXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-6-11-5-7-2-3-8(10)4-9(7)12-6/h2-5H,10H2,1H3.
What are the key properties of 2-methylquinazolin-7-amine?
2-methylquinazolin-7-amine has a molecular weight of 159.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylquinazolin-7-amine is sourced from PubChem (CID 59164781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).