2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine

C12H15N5O — CID 2869867

IUPAC2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine
SMILESCCOc1nc(N=C(N)N)nc2c(C)cccc12
InChIInChI=1S/C12H15N5O/c1-3-18-10-8-6-4-5-7(2)9(8)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyFIIINVTXWYOJPG-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.24
Rot. Bonds3

About 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine

2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine (PubChem CID 2869867) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine
PubChem CID2869867
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine
SMILESCCOc1nc(N=C(N)N)nc2c(C)cccc12
InChIInChI=1S/C12H15N5O/c1-3-18-10-8-6-4-5-7(2)9(8)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyFIIINVTXWYOJPG-UHFFFAOYSA-N
XLogP1.24
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-ethoxy-8-methylquinazolin-2-yl)guanidine?
The IUPAC name of 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine (CID 2869867) is 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine is CCOc1nc(N=C(N)N)nc2c(C)cccc12.
What is the InChIKey of 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine?
The InChIKey is FIIINVTXWYOJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-18-10-8-6-4-5-7(2)9(8)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-(4-ethoxy-8-methylquinazolin-2-yl)guanidine?
2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine has a molecular weight of 245.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine is sourced from PubChem (CID 2869867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).