5-methylquinazoline-2,4,6-triamine

C9H11N5 — CID 13413778

IUPAC5-methylquinazoline-2,4,6-triamine
SMILESCc1c(N)ccc2nc(N)nc(N)c12
InChIInChI=1S/C9H11N5/c1-4-5(10)2-3-6-7(4)8(11)14-9(12)13-6/h2-3H,10H2,1H3,(H4,11,12,13,14)
InChIKeyLYLCQCMWHDZXFW-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.68
Rot. Bonds

About 5-methylquinazoline-2,4,6-triamine

5-methylquinazoline-2,4,6-triamine (PubChem CID 13413778) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-methylquinazoline-2,4,6-triamine.

Molecular Properties

Compound Name5-methylquinazoline-2,4,6-triamine
PubChem CID13413778
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name5-methylquinazoline-2,4,6-triamine
SMILESCc1c(N)ccc2nc(N)nc(N)c12
InChIInChI=1S/C9H11N5/c1-4-5(10)2-3-6-7(4)8(11)14-9(12)13-6/h2-3H,10H2,1H3,(H4,11,12,13,14)
InChIKeyLYLCQCMWHDZXFW-UHFFFAOYSA-N
XLogP0.68
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylquinazoline-2,4,6-triamine?
The IUPAC name of 5-methylquinazoline-2,4,6-triamine (CID 13413778) is 5-methylquinazoline-2,4,6-triamine.
What is the SMILES notation for 5-methylquinazoline-2,4,6-triamine?
The canonical SMILES for 5-methylquinazoline-2,4,6-triamine is Cc1c(N)ccc2nc(N)nc(N)c12.
What is the InChIKey of 5-methylquinazoline-2,4,6-triamine?
The InChIKey is LYLCQCMWHDZXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-4-5(10)2-3-6-7(4)8(11)14-9(12)13-6/h2-3H,10H2,1H3,(H4,11,12,13,14).
What are the key properties of 5-methylquinazoline-2,4,6-triamine?
5-methylquinazoline-2,4,6-triamine has a molecular weight of 189.22 g/mol, XLogP of 0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylquinazoline-2,4,6-triamine is sourced from PubChem (CID 13413778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).