6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea

C18H21N5O3S — CID 170764490

IUPAC6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea
SMILESCOc1cc2ncnc(N)c2cc1OC.CSc1ccc(NC(N)=O)cc1
InChIInChI=1S/C10H11N3O2.C8H10N2OS/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11;1-12-7-4-2-6(3-5-7)10-8(9)11/h3-5H,1-2H3,(H2,11,12,13);2-5H,1H3,(H3,9,10,11)
InChIKeySHJLCMXJDJVNBM-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.13
Rot. Bonds4

About 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea

6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea (PubChem CID 170764490) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea
PubChem CID170764490
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea
SMILESCOc1cc2ncnc(N)c2cc1OC.CSc1ccc(NC(N)=O)cc1
InChIInChI=1S/C10H11N3O2.C8H10N2OS/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11;1-12-7-4-2-6(3-5-7)10-8(9)11/h3-5H,1-2H3,(H2,11,12,13);2-5H,1H3,(H3,9,10,11)
InChIKeySHJLCMXJDJVNBM-UHFFFAOYSA-N
XLogP3.13
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxyquinazolin-4-amine;(5-methylsulfanylnaphthalen-1-yl)phosphonous acid
CID 170764451
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine
CID 174731053
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
6-methoxyquinazoline-4,7-diamine
CID 142061671
7-methoxy-6-propan-2-yloxyquinazolin-4-amine
CID 141299467
(3,4-dimethoxyphenyl)urea
CID 21197430
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9247227
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea?
The IUPAC name of 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea (CID 170764490) is 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea.
What is the SMILES notation for 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea?
The canonical SMILES for 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea is COc1cc2ncnc(N)c2cc1OC.CSc1ccc(NC(N)=O)cc1.
What is the InChIKey of 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea?
The InChIKey is SHJLCMXJDJVNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.C8H10N2OS/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11;1-12-7-4-2-6(3-5-7)10-8(9)11/h3-5H,1-2H3,(H2,11,12,13);2-5H,1H3,(H3,9,10,11).
What are the key properties of 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea?
6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea has a molecular weight of 387.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyquinazolin-4-amine;(4-methylsulfanylphenyl)urea is sourced from PubChem (CID 170764490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).