ethane;6-methylquinazoline-2-carboximidamide

C12H16N4 — CID 172623100

IUPACethane;6-methylquinazoline-2-carboximidamide
SMILESCC.[H]/N=C(\N)c1ncc2cc(C)ccc2n1
InChIInChI=1S/C10H10N4.C2H6/c1-6-2-3-8-7(4-6)5-13-10(14-8)9(11)12;1-2/h2-5H,1H3,(H3,11,12);1-2H3
InChIKeyHEZMBIGCFDSYSA-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.25
Rot. Bonds1

About ethane;6-methylquinazoline-2-carboximidamide

ethane;6-methylquinazoline-2-carboximidamide (PubChem CID 172623100) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is ethane;6-methylquinazoline-2-carboximidamide.

Molecular Properties

Compound Nameethane;6-methylquinazoline-2-carboximidamide
PubChem CID172623100
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Nameethane;6-methylquinazoline-2-carboximidamide
SMILESCC.[H]/N=C(\N)c1ncc2cc(C)ccc2n1
InChIInChI=1S/C10H10N4.C2H6/c1-6-2-3-8-7(4-6)5-13-10(14-8)9(11)12;1-2/h2-5H,1H3,(H3,11,12);1-2H3
InChIKeyHEZMBIGCFDSYSA-UHFFFAOYSA-N
XLogP2.25
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.25
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

6-methylpyrido[2,3-d]pyrimidine-2-carboximidamide
CID 172623035
6-methylquinazoline-2-carbohydrazide;dihydrochloride
CID 89487244
7-tert-butylpyrido[3,2-d]pyrimidine-2-carboximidamide
CID 164792579
6-methylquinoline-4-carboximidamide
CID 83677821
ethane;3-methyl-1,7-naphthyridine-6-carboximidamide
CID 172622984
ethyl quinazoline-2-carboximidate
CID 151326271
2-(iodomethyl)-6-methylquinazoline
CID 89416399
isoquinoline-3-carboximidamide
CID 5069411
2,7-dimethylacridine
CID 14490101
ethane;6-methyl-1,5-naphthyridine-2-carboximidamide
CID 172623231
6-methyl-2-(6-methylquinolin-2-yl)quinazoline
CID 130272199
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide
CID 54496754

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylquinazoline-2-carboximidamide?
The IUPAC name of ethane;6-methylquinazoline-2-carboximidamide (CID 172623100) is ethane;6-methylquinazoline-2-carboximidamide.
What is the SMILES notation for ethane;6-methylquinazoline-2-carboximidamide?
The canonical SMILES for ethane;6-methylquinazoline-2-carboximidamide is CC.[H]/N=C(\N)c1ncc2cc(C)ccc2n1.
What is the InChIKey of ethane;6-methylquinazoline-2-carboximidamide?
The InChIKey is HEZMBIGCFDSYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4.C2H6/c1-6-2-3-8-7(4-6)5-13-10(14-8)9(11)12;1-2/h2-5H,1H3,(H3,11,12);1-2H3.
What are the key properties of ethane;6-methylquinazoline-2-carboximidamide?
ethane;6-methylquinazoline-2-carboximidamide has a molecular weight of 216.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylquinazoline-2-carboximidamide is sourced from PubChem (CID 172623100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).