2-(4,6,7-trimethylquinazolin-2-yl)guanidine

C12H15N5 — CID 2853458

IUPAC2-(4,6,7-trimethylquinazolin-2-yl)guanidine
SMILESCc1cc2nc(N=C(N)N)nc(C)c2cc1C
InChIInChI=1S/C12H15N5/c1-6-4-9-8(3)15-12(17-11(13)14)16-10(9)5-7(6)2/h4-5H,1-3H3,(H4,13,14,15,16,17)
InChIKeyJFQDHSRWWLJCBV-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.46
Rot. Bonds1

About 2-(4,6,7-trimethylquinazolin-2-yl)guanidine

2-(4,6,7-trimethylquinazolin-2-yl)guanidine (PubChem CID 2853458) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(4,6,7-trimethylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4,6,7-trimethylquinazolin-2-yl)guanidine
PubChem CID2853458
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-(4,6,7-trimethylquinazolin-2-yl)guanidine
SMILESCc1cc2nc(N=C(N)N)nc(C)c2cc1C
InChIInChI=1S/C12H15N5/c1-6-4-9-8(3)15-12(17-11(13)14)16-10(9)5-7(6)2/h4-5H,1-3H3,(H4,13,14,15,16,17)
InChIKeyJFQDHSRWWLJCBV-UHFFFAOYSA-N
XLogP1.46
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.46
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-(4,6,7-trimethylquinazolin-2-yl)guanidine?
The IUPAC name of 2-(4,6,7-trimethylquinazolin-2-yl)guanidine (CID 2853458) is 2-(4,6,7-trimethylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(4,6,7-trimethylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(4,6,7-trimethylquinazolin-2-yl)guanidine is Cc1cc2nc(N=C(N)N)nc(C)c2cc1C.
What is the InChIKey of 2-(4,6,7-trimethylquinazolin-2-yl)guanidine?
The InChIKey is JFQDHSRWWLJCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-6-4-9-8(3)15-12(17-11(13)14)16-10(9)5-7(6)2/h4-5H,1-3H3,(H4,13,14,15,16,17).
What are the key properties of 2-(4,6,7-trimethylquinazolin-2-yl)guanidine?
2-(4,6,7-trimethylquinazolin-2-yl)guanidine has a molecular weight of 229.29 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6,7-trimethylquinazolin-2-yl)guanidine is sourced from PubChem (CID 2853458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).