2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one

C19H30N4O2S — CID 39110398

IUPAC2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCN(CC)Cc1nc2sc(C)c(C)c2c(=O)n1CCN1CCOCC1
InChIInChI=1S/C19H30N4O2S/c1-5-21(6-2)13-16-20-18-17(14(3)15(4)26-18)19(24)23(16)8-7-22-9-11-25-12-10-22/h5-13H2,1-4H3
InChIKeyGGJZURIYYLMRSZ-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.25
Rot. Bonds7

About 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one

2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 39110398) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID39110398
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCN(CC)Cc1nc2sc(C)c(C)c2c(=O)n1CCN1CCOCC1
InChIInChI=1S/C19H30N4O2S/c1-5-21(6-2)13-16-20-18-17(14(3)15(4)26-18)19(24)23(16)8-7-22-9-11-25-12-10-22/h5-13H2,1-4H3
InChIKeyGGJZURIYYLMRSZ-UHFFFAOYSA-N
XLogP2.25
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(4-tert-butylphenoxy)ethyl]-2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 39109890
5,6-dimethyl-3-propyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 39112036
2-(diethylaminomethyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 17454576
11-(diethylaminomethyl)-4,5-dimethyl-6,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
CID 171363171
ethyl 2-[[2-[2-(diethylaminomethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39110436
5,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1170083
13,14-dimethyl-8-(2-morpholin-4-ylethylamino)-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
CID 1276155
2,5,6-trimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 23740566
4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896745
3-(4-methoxyphenyl)-5,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 1170085
3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 23411257
5,6-dimethyl-2-[(3-morpholin-4-ylpropylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 39148739

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one (CID 39110398) is 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one is CCN(CC)Cc1nc2sc(C)c(C)c2c(=O)n1CCN1CCOCC1.
What is the InChIKey of 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GGJZURIYYLMRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-5-21(6-2)13-16-20-18-17(14(3)15(4)26-18)19(24)23(16)8-7-22-9-11-25-12-10-22/h5-13H2,1-4H3.
What are the key properties of 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one?
2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 378.54 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-5,6-dimethyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39110398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).