2-(4,8-dimethylquinazolin-2-yl)guanidine

C11H13N5 — CID 2849032

IUPAC2-(4,8-dimethylquinazolin-2-yl)guanidine
SMILESCc1nc(N=C(N)N)nc2c(C)cccc12
InChIInChI=1S/C11H13N5/c1-6-4-3-5-8-7(2)14-11(15-9(6)8)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKeyZZFRROOYRMMSET-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.15
Rot. Bonds1

About 2-(4,8-dimethylquinazolin-2-yl)guanidine

2-(4,8-dimethylquinazolin-2-yl)guanidine (PubChem CID 2849032) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(4,8-dimethylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4,8-dimethylquinazolin-2-yl)guanidine
PubChem CID2849032
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-(4,8-dimethylquinazolin-2-yl)guanidine
SMILESCc1nc(N=C(N)N)nc2c(C)cccc12
InChIInChI=1S/C11H13N5/c1-6-4-3-5-8-7(2)14-11(15-9(6)8)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
InChIKeyZZFRROOYRMMSET-UHFFFAOYSA-N
XLogP1.15
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.15
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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Related Compounds

2-Aminoquinoline
CID 11379
Quinazoline
CID 9210
4-Aminoquinazoline
CID 84759
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4,6-Diphenylpyrimidin-2-amine
CID 619024
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
2,4,6-Triaminoquinazoline
CID 292661
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
Quinazolin-2-amine
CID 519332
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethylquinazolin-2-yl)guanidine?
The IUPAC name of 2-(4,8-dimethylquinazolin-2-yl)guanidine (CID 2849032) is 2-(4,8-dimethylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(4,8-dimethylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(4,8-dimethylquinazolin-2-yl)guanidine is Cc1nc(N=C(N)N)nc2c(C)cccc12.
What is the InChIKey of 2-(4,8-dimethylquinazolin-2-yl)guanidine?
The InChIKey is ZZFRROOYRMMSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-6-4-3-5-8-7(2)14-11(15-9(6)8)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 2-(4,8-dimethylquinazolin-2-yl)guanidine?
2-(4,8-dimethylquinazolin-2-yl)guanidine has a molecular weight of 215.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethylquinazolin-2-yl)guanidine is sourced from PubChem (CID 2849032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).