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

C18H21N5O2S — CID 126467486

IUPAC6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
SMILESCOc1cc2nc(CN3CCCC3c3nccs3)nc(N)c2cc1OC
InChIInChI=1S/C18H21N5O2S/c1-24-14-8-11-12(9-15(14)25-2)21-16(22-17(11)19)10-23-6-3-4-13(23)18-20-5-7-26-18/h5,7-9,13H,3-4,6,10H2,1-2H3,(H2,19,21,22)
InChIKeyKUROWAWYJGWJKE-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.02
Rot. Bonds5

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

6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine (PubChem CID 126467486) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
PubChem CID126467486
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
SMILESCOc1cc2nc(CN3CCCC3c3nccs3)nc(N)c2cc1OC
InChIInChI=1S/C18H21N5O2S/c1-24-14-8-11-12(9-15(14)25-2)21-16(22-17(11)19)10-23-6-3-4-13(23)18-20-5-7-26-18/h5,7-9,13H,3-4,6,10H2,1-2H3,(H2,19,21,22)
InChIKeyKUROWAWYJGWJKE-UHFFFAOYSA-N
XLogP3.02
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99927338
2-[(2S)-1-[(3-chloro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 99932250
N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
CID 126463349
2-[5-[(2S)-2-amino-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propoxy]-3-pyridinyl]-8,9-dimethoxybenzo[f][2,7]naphthyridin-4-amine
CID 69188870
2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 77091401
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 26336117
2-(2,3-dimethoxyphenyl)-5-methyl-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45179469
6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine
CID 166225989
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42383917
[1-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 126463047
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine (CID 126467486) is 6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine is COc1cc2nc(CN3CCCC3c3nccs3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is KUROWAWYJGWJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-24-14-8-11-12(9-15(14)25-2)21-16(22-17(11)19)10-23-6-3-4-13(23)18-20-5-7-26-18/h5,7-9,13H,3-4,6,10H2,1-2H3,(H2,19,21,22).
What are the key properties of 6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine?
6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 371.47 g/mol, XLogP of 3.02, 5 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-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 126467486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).