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

C10H10ClN5 — CID 4259863

IUPAC2-(6-chloro-4-methylquinazolin-2-yl)guanidine
SMILESCc1nc(N=C(N)N)nc2ccc(Cl)cc12
InChIInChI=1S/C10H10ClN5/c1-5-7-4-6(11)2-3-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeyROVKPIHVVRWXAJ-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.50
Rot. Bonds1

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

2-(6-chloro-4-methylquinazolin-2-yl)guanidine (PubChem CID 4259863) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 2-(6-chloro-4-methylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(6-chloro-4-methylquinazolin-2-yl)guanidine
PubChem CID4259863
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name2-(6-chloro-4-methylquinazolin-2-yl)guanidine
SMILESCc1nc(N=C(N)N)nc2ccc(Cl)cc12
InChIInChI=1S/C10H10ClN5/c1-5-7-4-6(11)2-3-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16)
InChIKeyROVKPIHVVRWXAJ-UHFFFAOYSA-N
XLogP1.50
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.50
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-chloro-4-methylquinazolin-2-yl)guanidine?
The IUPAC name of 2-(6-chloro-4-methylquinazolin-2-yl)guanidine (CID 4259863) is 2-(6-chloro-4-methylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(6-chloro-4-methylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(6-chloro-4-methylquinazolin-2-yl)guanidine is Cc1nc(N=C(N)N)nc2ccc(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-methylquinazolin-2-yl)guanidine?
The InChIKey is ROVKPIHVVRWXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-5-7-4-6(11)2-3-8(7)15-10(14-5)16-9(12)13/h2-4H,1H3,(H4,12,13,14,15,16).
What are the key properties of 2-(6-chloro-4-methylquinazolin-2-yl)guanidine?
2-(6-chloro-4-methylquinazolin-2-yl)guanidine has a molecular weight of 235.68 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methylquinazolin-2-yl)guanidine is sourced from PubChem (CID 4259863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).