4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione

C12H15N3O3S — CID 135142587

IUPAC4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione
SMILESCOc1cc2nc(=S)n(CCO)c(N)c2cc1OC
InChIInChI=1S/C12H15N3O3S/c1-17-9-5-7-8(6-10(9)18-2)14-12(19)15(3-4-16)11(7)13/h5-6,16H,3-4,13H2,1-2H3
InChIKeyUHAKTEWLDCGIQB-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.36
Rot. Bonds4

About 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione

4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione (PubChem CID 135142587) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione.

Molecular Properties

Compound Name4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione
PubChem CID135142587
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione
SMILESCOc1cc2nc(=S)n(CCO)c(N)c2cc1OC
InChIInChI=1S/C12H15N3O3S/c1-17-9-5-7-8(6-10(9)18-2)14-12(19)15(3-4-16)11(7)13/h5-6,16H,3-4,13H2,1-2H3
InChIKeyUHAKTEWLDCGIQB-UHFFFAOYSA-N
XLogP1.36
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-6,7-dimethoxy-2-methylsulfanylquinazoline-4-thione
CID 15115460
4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(1H-indol-2-yl)butan-1-one
CID 157369674
4-amino-6,7-dimethyl-3-propylquinazoline-2-thione
CID 170273459
N-[2-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)ethyl]-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 135142614
2-N-[2-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)ethyl]-5-N-[2-(ethylamino)ethyl]-1H-indole-2,5-dicarboxamide
CID 135142497
4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(azetidine-1-carbonyl)-1H-indol-2-yl]butan-1-one
CID 159465755
N-[2-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)ethyl]-5-[4-[2-(methylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 135142531
1-[2-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)ethyl]-N-(2-morpholin-4-ylethyl)indole-3-carboxamide
CID 135140894
4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one
CID 158430929
2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
CID 82149367
ethyl 3-amino-5,6-dimethoxyindazole-2-carboxylate
CID 54502475
2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol
CID 57342964

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione?
The IUPAC name of 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione (CID 135142587) is 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione.
What is the SMILES notation for 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione?
The canonical SMILES for 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione is COc1cc2nc(=S)n(CCO)c(N)c2cc1OC.
What is the InChIKey of 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione?
The InChIKey is UHAKTEWLDCGIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-17-9-5-7-8(6-10(9)18-2)14-12(19)15(3-4-16)11(7)13/h5-6,16H,3-4,13H2,1-2H3.
What are the key properties of 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione?
4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione has a molecular weight of 281.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione is sourced from PubChem (CID 135142587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).