2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

C19H19N5O3S — CID 135697716

IUPAC2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncnc2ccsc12
InChIInChI=1S/C19H19N5O3S/c1-4-24(18-17-12(5-6-28-17)20-10-21-18)9-16-22-13-8-15(27-3)14(26-2)7-11(13)19(25)23-16/h5-8,10H,4,9H2,1-3H3,(H,22,23,25)
InChIKeyIIOTTYPAYFKLTL-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.97
Rot. Bonds6

About 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one

2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 135697716) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID135697716
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncnc2ccsc12
InChIInChI=1S/C19H19N5O3S/c1-4-24(18-17-12(5-6-28-17)20-10-21-18)9-16-22-13-8-15(27-3)14(26-2)7-11(13)19(25)23-16/h5-8,10H,4,9H2,1-3H3,(H,22,23,25)
InChIKeyIIOTTYPAYFKLTL-UHFFFAOYSA-N
XLogP2.97
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135697707
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]pyridine-3-carbonitrile
CID 135697728
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
2-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135808562
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137154641
(2S)-2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-methylbutanamide
CID 137132828
6,7-dimethoxy-2-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135722533
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 137156480
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 136919694

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one (CID 135697716) is 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ncnc2ccsc12.
What is the InChIKey of 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is IIOTTYPAYFKLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-4-24(18-17-12(5-6-28-17)20-10-21-18)9-16-22-13-8-15(27-3)14(26-2)7-11(13)19(25)23-16/h5-8,10H,4,9H2,1-3H3,(H,22,23,25).
What are the key properties of 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 397.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135697716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).