4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine

C13H17N3O3 — CID 104559985

IUPAC4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine
SMILESCOCCOCCOc1ncnc2ccc(N)cc12
InChIInChI=1S/C13H17N3O3/c1-17-4-5-18-6-7-19-13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7,14H2,1H3
InChIKeyLBGHLFKTURAXNO-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.25
Rot. Bonds7

About 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine

4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine (PubChem CID 104559985) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine
PubChem CID104559985
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine
SMILESCOCCOCCOc1ncnc2ccc(N)cc12
InChIInChI=1S/C13H17N3O3/c1-17-4-5-18-6-7-19-13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7,14H2,1H3
InChIKeyLBGHLFKTURAXNO-UHFFFAOYSA-N
XLogP1.25
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-propoxyquinazolin-6-amine
CID 64587338
4-(2-methylpropoxy)quinazolin-6-amine
CID 64590117
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinazolin-6-amine
CID 64588529
4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine
CID 104559912
4-[(4-chlorophenyl)methoxy]quinazolin-6-amine
CID 65126778
4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561380
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
CID 104568270
4-[2-(dimethylamino)ethoxy]quinazolin-7-amine
CID 65336522
4-[3-(dimethylamino)propoxy]quinazolin-7-amine
CID 65336571
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
4-(oxolan-2-ylmethoxy)quinazolin-6-amine
CID 64590316

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine (CID 104559985) is 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine is COCCOCCOc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine?
The InChIKey is LBGHLFKTURAXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-4-5-18-6-7-19-13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7,14H2,1H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine?
4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine has a molecular weight of 263.30 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine is sourced from PubChem (CID 104559985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).