[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate

C15H24N6O4 — CID 21155177

IUPAC[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate
SMILESCCN(CC)c1nc(NNC(N)=O)c2cc(OC)c(OC)cc2n1.O
InChIInChI=1S/C15H22N6O3.H2O/c1-5-21(6-2)15-17-10-8-12(24-4)11(23-3)7-9(10)13(18-15)19-20-14(16)22;/h7-8H,5-6H2,1-4H3,(H3,16,20,22)(H,17,18,19);1H2
InChIKeyOJOZRHGAUGUEMW-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.66
Rot. Bonds7

About [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate

[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate (PubChem CID 21155177) has the molecular formula C15H24N6O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate.

Molecular Properties

Compound Name[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate
PubChem CID21155177
Molecular FormulaC15H24N6O4
Molecular Weight352.40 g/mol
Exact Mass352.19
IUPAC Name[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate
SMILESCCN(CC)c1nc(NNC(N)=O)c2cc(OC)c(OC)cc2n1.O
InChIInChI=1S/C15H22N6O3.H2O/c1-5-21(6-2)15-17-10-8-12(24-4)11(23-3)7-9(10)13(18-15)19-20-14(16)22;/h7-8H,5-6H2,1-4H3,(H3,16,20,22)(H,17,18,19);1H2
InChIKeyOJOZRHGAUGUEMW-UHFFFAOYSA-N
XLogP0.66
TPSA146.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate 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

1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea
CID 3077572
[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea
CID 157480962
2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]ethanol
CID 134103872
4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 13408817
6,7-dimethoxy-2-N-[2-(methylamino)ethyl]-2-N-propylquinazoline-2,4-diamine
CID 142218261
N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide
CID 144858973
4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
CID 84632987
2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135697707
2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 134115399
2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol
CID 57342964
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
CID 13408813

Frequently Asked Questions

What is the IUPAC name of [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate?
The IUPAC name of [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate (CID 21155177) is [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate.
What is the SMILES notation for [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate?
The canonical SMILES for [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate is CCN(CC)c1nc(NNC(N)=O)c2cc(OC)c(OC)cc2n1.O.
What is the InChIKey of [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate?
The InChIKey is OJOZRHGAUGUEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3.H2O/c1-5-21(6-2)15-17-10-8-12(24-4)11(23-3)7-9(10)13(18-15)19-20-14(16)22;/h7-8H,5-6H2,1-4H3,(H3,16,20,22)(H,17,18,19);1H2.
What are the key properties of [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate?
[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate has a molecular weight of 352.40 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate is sourced from PubChem (CID 21155177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).