propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

C17H23N3O4S — CID 1178160

IUPACpropan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCN(CC)C(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O
InChIInChI=1S/C17H23N3O4S/c1-6-19(7-2)12(21)8-20-9-18-15-13(16(20)22)11(5)14(25-15)17(23)24-10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyCECQFDBDUNMUKJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.20
Rot. Bonds6

About propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 1178160) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID1178160
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Namepropan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCN(CC)C(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O
InChIInChI=1S/C17H23N3O4S/c1-6-19(7-2)12(21)8-20-9-18-15-13(16(20)22)11(5)14(25-15)17(23)24-10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyCECQFDBDUNMUKJ-UHFFFAOYSA-N
XLogP2.20
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (CID 1178160) is propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is CCN(CC)C(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O.
What is the InChIKey of propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is CECQFDBDUNMUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-6-19(7-2)12(21)8-20-9-18-15-13(16(20)22)11(5)14(25-15)17(23)24-10(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 365.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 1178160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).