N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide

C12H14N4 — CID 101101202

IUPACN,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide
SMILESCc1ccc2ncnc(/N=C/N(C)C)c2c1
InChIInChI=1S/C12H14N4/c1-9-4-5-11-10(6-9)12(14-7-13-11)15-8-16(2)3/h4-8H,1-3H3/b15-8+
InChIKeyYRHZWGCOABKEBN-OVCLIPMQSA-N
MW214.27 g/mol
LogP2.16
Rot. Bonds2

About N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide

N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide (PubChem CID 101101202) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide
PubChem CID101101202
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide
SMILESCc1ccc2ncnc(/N=C/N(C)C)c2c1
InChIInChI=1S/C12H14N4/c1-9-4-5-11-10(6-9)12(14-7-13-11)15-8-16(2)3/h4-8H,1-3H3/b15-8+
InChIKeyYRHZWGCOABKEBN-OVCLIPMQSA-N
XLogP2.16
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
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 N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide (CID 101101202) is N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide is Cc1ccc2ncnc(/N=C/N(C)C)c2c1.
What is the InChIKey of N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide?
The InChIKey is YRHZWGCOABKEBN-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-4-5-11-10(6-9)12(14-7-13-11)15-8-16(2)3/h4-8H,1-3H3/b15-8+.
What are the key properties of N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide?
N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide has a molecular weight of 214.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(6-methylquinazolin-4-yl)methanimidamide is sourced from PubChem (CID 101101202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).