1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea

C16H24N6O3 — CID 3077572

IUPAC1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea
SMILESCCN(CC)c1nc(NNC(=O)NC)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C16H24N6O3/c1-6-22(7-2)15-18-11-9-13(25-5)12(24-4)8-10(11)14(19-15)20-21-16(23)17-3/h8-9H,6-7H2,1-5H3,(H2,17,21,23)(H,18,19,20)
InChIKeyHFPAINUPIKHKDI-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.75
Rot. Bonds7

About 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea

1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea (PubChem CID 3077572) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea.

Molecular Properties

Compound Name1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea
PubChem CID3077572
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea
SMILESCCN(CC)c1nc(NNC(=O)NC)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C16H24N6O3/c1-6-22(7-2)15-18-11-9-13(25-5)12(24-4)8-10(11)14(19-15)20-21-16(23)17-3/h8-9H,6-7H2,1-5H3,(H2,17,21,23)(H,18,19,20)
InChIKeyHFPAINUPIKHKDI-UHFFFAOYSA-N
XLogP1.75
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea 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

[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate
CID 21155177
2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]ethanol
CID 134103872
[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea
CID 157480962
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
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
N-(6,7-dimethoxyquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 21002974
N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
CID 129010594
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-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea?
The IUPAC name of 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea (CID 3077572) is 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea.
What is the SMILES notation for 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea?
The canonical SMILES for 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea is CCN(CC)c1nc(NNC(=O)NC)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea?
The InChIKey is HFPAINUPIKHKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-6-22(7-2)15-18-11-9-13(25-5)12(24-4)8-10(11)14(19-15)20-21-16(23)17-3/h8-9H,6-7H2,1-5H3,(H2,17,21,23)(H,18,19,20).
What are the key properties of 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea?
1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea has a molecular weight of 348.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea is sourced from PubChem (CID 3077572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).