2-(6-ethyl-4-methylquinazolin-2-yl)guanidine

C12H15N5 — CID 3122739

IUPAC2-(6-ethyl-4-methylquinazolin-2-yl)guanidine
SMILESCCc1ccc2nc(N=C(N)N)nc(C)c2c1
InChIInChI=1S/C12H15N5/c1-3-8-4-5-10-9(6-8)7(2)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyBMPKQEBQJJQTJC-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.41
Rot. Bonds2

About 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine

2-(6-ethyl-4-methylquinazolin-2-yl)guanidine (PubChem CID 3122739) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(6-ethyl-4-methylquinazolin-2-yl)guanidine
PubChem CID3122739
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-(6-ethyl-4-methylquinazolin-2-yl)guanidine
SMILESCCc1ccc2nc(N=C(N)N)nc(C)c2c1
InChIInChI=1S/C12H15N5/c1-3-8-4-5-10-9(6-8)7(2)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyBMPKQEBQJJQTJC-UHFFFAOYSA-N
XLogP1.41
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine?
The IUPAC name of 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine (CID 3122739) is 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine is CCc1ccc2nc(N=C(N)N)nc(C)c2c1.
What is the InChIKey of 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine?
The InChIKey is BMPKQEBQJJQTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-3-8-4-5-10-9(6-8)7(2)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine?
2-(6-ethyl-4-methylquinazolin-2-yl)guanidine has a molecular weight of 229.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-methylquinazolin-2-yl)guanidine is sourced from PubChem (CID 3122739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).