2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid

C15H23N3O7S — CID 161275522

IUPAC2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid
SMILESCOCCOc1nc(N)c2c(OCCOC)cccc2n1.CS(=O)(=O)O
InChIInChI=1S/C14H19N3O4.CH4O3S/c1-18-6-8-20-11-5-3-4-10-12(11)13(15)17-14(16-10)21-9-7-19-2;1-5(2,3)4/h3-5H,6-9H2,1-2H3,(H2,15,16,17);1H3,(H,2,3,4)
InChIKeyVEJVAHIUSGDDKA-UHFFFAOYSA-N
MW389.43 g/mol
LogP0.77
Rot. Bonds8

About 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid

2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid (PubChem CID 161275522) has the molecular formula C15H23N3O7S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid.

Molecular Properties

Compound Name2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid
PubChem CID161275522
Molecular FormulaC15H23N3O7S
Molecular Weight389.43 g/mol
Exact Mass389.13
IUPAC Name2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid
SMILESCOCCOc1nc(N)c2c(OCCOC)cccc2n1.CS(=O)(=O)O
InChIInChI=1S/C14H19N3O4.CH4O3S/c1-18-6-8-20-11-5-3-4-10-12(11)13(15)17-14(16-10)21-9-7-19-2;1-5(2,3)4/h3-5H,6-9H2,1-2H3,(H2,15,16,17);1H3,(H,2,3,4)
InChIKeyVEJVAHIUSGDDKA-UHFFFAOYSA-N
XLogP0.77
TPSA143.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxyethoxy)quinazoline-2,4-diamine
CID 11637233
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
methyl 2-[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate
CID 23158703
2-[3-(2-methoxyethoxy)propoxy]-6-methylsulfonylaniline
CID 103401034
2-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoic acid
CID 104564090
5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine
CID 66924159
6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane
CID 143605693
[1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylpropyl]hydrazine
CID 105334154

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid?
The IUPAC name of 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid (CID 161275522) is 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid.
What is the SMILES notation for 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid?
The canonical SMILES for 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid is COCCOc1nc(N)c2c(OCCOC)cccc2n1.CS(=O)(=O)O.
What is the InChIKey of 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid?
The InChIKey is VEJVAHIUSGDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4.CH4O3S/c1-18-6-8-20-11-5-3-4-10-12(11)13(15)17-14(16-10)21-9-7-19-2;1-5(2,3)4/h3-5H,6-9H2,1-2H3,(H2,15,16,17);1H3,(H,2,3,4).
What are the key properties of 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid?
2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid has a molecular weight of 389.43 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid is sourced from PubChem (CID 161275522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).