[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea

C12H15N5O3 — CID 157480962

IUPAC[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea
SMILESCOc1cc2nc(C)nc(NNC(N)=O)c2cc1OC
InChIInChI=1S/C12H15N5O3/c1-6-14-8-5-10(20-3)9(19-2)4-7(8)11(15-6)16-17-12(13)18/h4-5H,1-3H3,(H3,13,17,18)(H,14,15,16)
InChIKeyULIMRGKUBPMENH-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.95
Rot. Bonds4

About [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea

[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea (PubChem CID 157480962) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea.

Molecular Properties

Compound Name[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea
PubChem CID157480962
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea
SMILESCOc1cc2nc(C)nc(NNC(N)=O)c2cc1OC
InChIInChI=1S/C12H15N5O3/c1-6-14-8-5-10(20-3)9(19-2)4-7(8)11(15-6)16-17-12(13)18/h4-5H,1-3H3,(H3,13,17,18)(H,14,15,16)
InChIKeyULIMRGKUBPMENH-UHFFFAOYSA-N
XLogP0.95
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide
CID 144858973
[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate
CID 21155177
6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997
6,7-dimethoxy-2,4-dimethylquinazoline;ethane
CID 163274874
1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea
CID 3077572
1-[5-[5-[(1S)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]thiophen-2-yl]ethanone
CID 164824050
N-[(1R)-1-(3-amino-5-methylphenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 174181337
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
CID 146197360
methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate
CID 143096714
4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
CID 84632987
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785

Frequently Asked Questions

What is the IUPAC name of [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea?
The IUPAC name of [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea (CID 157480962) is [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea.
What is the SMILES notation for [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea?
The canonical SMILES for [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea is COc1cc2nc(C)nc(NNC(N)=O)c2cc1OC.
What is the InChIKey of [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea?
The InChIKey is ULIMRGKUBPMENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-6-14-8-5-10(20-3)9(19-2)4-7(8)11(15-6)16-17-12(13)18/h4-5H,1-3H3,(H3,13,17,18)(H,14,15,16).
What are the key properties of [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea?
[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea has a molecular weight of 277.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]urea is sourced from PubChem (CID 157480962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).