6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine

C18H21N5O2S — CID 166225989

IUPAC6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCCC3c3csc(C)n3)nc(N)c2cc1OC
InChIInChI=1S/C18H21N5O2S/c1-10-20-13(9-26-10)14-5-4-6-23(14)18-21-12-8-16(25-3)15(24-2)7-11(12)17(19)22-18/h7-9,14H,4-6H2,1-3H3,(H2,19,21,22)
InChIKeyWEEFYMMZICTLSN-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.34
Rot. Bonds4

About 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine

6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine (PubChem CID 166225989) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine
PubChem CID166225989
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine
SMILESCOc1cc2nc(N3CCCC3c3csc(C)n3)nc(N)c2cc1OC
InChIInChI=1S/C18H21N5O2S/c1-10-20-13(9-26-10)14-5-4-6-23(14)18-21-12-8-16(25-3)15(24-2)7-11(12)17(19)22-18/h7-9,14H,4-6H2,1-3H3,(H2,19,21,22)
InChIKeyWEEFYMMZICTLSN-UHFFFAOYSA-N
XLogP3.34
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine 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-[(4aR,8aS)-4-(5-methylfuran-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 12988015
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl]-6,7-dimethoxyquinazolin-4-amine;dihydrochloride
CID 86586310
4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 95829363
4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 125138191
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996
CID 163462957
CID 163462957

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine (CID 166225989) is 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine is COc1cc2nc(N3CCCC3c3csc(C)n3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine?
The InChIKey is WEEFYMMZICTLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10-20-13(9-26-10)14-5-4-6-23(14)18-21-12-8-16(25-3)15(24-2)7-11(12)17(19)22-18/h7-9,14H,4-6H2,1-3H3,(H2,19,21,22).
What are the key properties of 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine?
6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine has a molecular weight of 371.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 166225989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).