3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione

C17H23N3O4S — CID 42571154

IUPAC3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cc1csc2c1c(=O)n(C)c(=O)n2CC(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O4S/c1-11(2)8-12-10-25-16-14(12)15(22)18(3)17(23)20(16)9-13(21)19-4-6-24-7-5-19/h10-11H,4-9H2,1-3H3
InChIKeyGKGJJBODRZEKEN-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.82
Rot. Bonds4

About 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione

3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 42571154) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID42571154
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cc1csc2c1c(=O)n(C)c(=O)n2CC(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O4S/c1-11(2)8-12-10-25-16-14(12)15(22)18(3)17(23)20(16)9-13(21)19-4-6-24-7-5-19/h10-11H,4-9H2,1-3H3
InChIKeyGKGJJBODRZEKEN-UHFFFAOYSA-N
XLogP0.82
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 42571154) is 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione is CC(C)Cc1csc2c1c(=O)n(C)c(=O)n2CC(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GKGJJBODRZEKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-11(2)8-12-10-25-16-14(12)15(22)18(3)17(23)20(16)9-13(21)19-4-6-24-7-5-19/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione?
3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 365.46 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 42571154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).