2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol

C16H19N5O2 — CID 151921849

IUPAC2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol
SMILESCc1ccc2nc(-n3ccnc3)nc(CCOCCO)c2c1N
InChIInChI=1S/C16H19N5O2/c1-11-2-3-12-14(15(11)17)13(4-8-23-9-7-22)20-16(19-12)21-6-5-18-10-21/h2-3,5-6,10,22H,4,7-9,17H2,1H3
InChIKeySWXUPSVELKIXAI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.26
Rot. Bonds6

About 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol

2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol (PubChem CID 151921849) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol
PubChem CID151921849
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol
SMILESCc1ccc2nc(-n3ccnc3)nc(CCOCCO)c2c1N
InChIInChI=1S/C16H19N5O2/c1-11-2-3-12-14(15(11)17)13(4-8-23-9-7-22)20-16(19-12)21-6-5-18-10-21/h2-3,5-6,10,22H,4,7-9,17H2,1H3
InChIKeySWXUPSVELKIXAI-UHFFFAOYSA-N
XLogP1.26
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-4-(2-methoxyethyl)-6-methylquinazolin-5-amine
CID 150680075
methyl 5-amino-4-[2-(2-hydroxyethoxy)ethyl]-2-imidazol-1-ylquinazoline-6-carboxylate
CID 70144174
2-imidazol-1-yl-6-methoxy-4-(2-phenoxyethyl)quinazolin-5-amine
CID 151081216
2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
CID 19392307
2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol
CID 67619633
2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine
CID 150286970
2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864873
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
2-(6-amino-2-imidazol-1-ylquinolin-4-yl)oxyethanol
CID 171536473
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol (CID 151921849) is 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol is Cc1ccc2nc(-n3ccnc3)nc(CCOCCO)c2c1N.
What is the InChIKey of 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol?
The InChIKey is SWXUPSVELKIXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-2-3-12-14(15(11)17)13(4-8-23-9-7-22)20-16(19-12)21-6-5-18-10-21/h2-3,5-6,10,22H,4,7-9,17H2,1H3.
What are the key properties of 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol?
2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol has a molecular weight of 313.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-2-imidazol-1-yl-6-methylquinazolin-4-yl)ethoxy]ethanol is sourced from PubChem (CID 151921849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).