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

C11H13N5O — CID 600062

IUPAC2-(4-methoxy-6-methylquinazolin-2-yl)guanidine
SMILESCOc1nc(N=C(N)N)nc2ccc(C)cc12
InChIInChI=1S/C11H13N5O/c1-6-3-4-8-7(5-6)9(17-2)15-11(14-8)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKeyIBZPHBHVVLWJMU-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.85
Rot. Bonds2

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

2-(4-methoxy-6-methylquinazolin-2-yl)guanidine (PubChem CID 600062) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(4-methoxy-6-methylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-methoxy-6-methylquinazolin-2-yl)guanidine
PubChem CID600062
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-(4-methoxy-6-methylquinazolin-2-yl)guanidine
SMILESCOc1nc(N=C(N)N)nc2ccc(C)cc12
InChIInChI=1S/C11H13N5O/c1-6-3-4-8-7(5-6)9(17-2)15-11(14-8)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKeyIBZPHBHVVLWJMU-UHFFFAOYSA-N
XLogP0.85
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.85
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-methoxy-6-methylquinazolin-2-yl)guanidine?
The IUPAC name of 2-(4-methoxy-6-methylquinazolin-2-yl)guanidine (CID 600062) is 2-(4-methoxy-6-methylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(4-methoxy-6-methylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(4-methoxy-6-methylquinazolin-2-yl)guanidine is COc1nc(N=C(N)N)nc2ccc(C)cc12.
What is the InChIKey of 2-(4-methoxy-6-methylquinazolin-2-yl)guanidine?
The InChIKey is IBZPHBHVVLWJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-6-3-4-8-7(5-6)9(17-2)15-11(14-8)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 2-(4-methoxy-6-methylquinazolin-2-yl)guanidine?
2-(4-methoxy-6-methylquinazolin-2-yl)guanidine has a molecular weight of 231.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methylquinazolin-2-yl)guanidine is sourced from PubChem (CID 600062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).