ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate

C18H24N4O4S — CID 6618555

IUPACethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
SMILESCCCn1cnc2sc(C(=O)N3CCN(C(=O)OCC)CC3)c(C)c2c1=O
InChIInChI=1S/C18H24N4O4S/c1-4-6-22-11-19-15-13(16(22)23)12(3)14(27-15)17(24)20-7-9-21(10-8-20)18(25)26-5-2/h11H,4-10H2,1-3H3
InChIKeyMZEMAMVPJQOFKD-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.09
Rot. Bonds4

About ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate

ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate (PubChem CID 6618555) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
PubChem CID6618555
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Nameethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
SMILESCCCn1cnc2sc(C(=O)N3CCN(C(=O)OCC)CC3)c(C)c2c1=O
InChIInChI=1S/C18H24N4O4S/c1-4-6-22-11-19-15-13(16(22)23)12(3)14(27-15)17(24)20-7-9-21(10-8-20)18(25)26-5-2/h11H,4-10H2,1-3H3
InChIKeyMZEMAMVPJQOFKD-UHFFFAOYSA-N
XLogP2.09
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate with MolForge

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Related Compounds

6-(azepane-1-carbonyl)-3-(2-ethoxyethyl)-5-methylthieno[2,3-d]pyrimidin-4-one
CID 6618596
3-(2-ethoxyethyl)-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 4065775
tert-butyl 4-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate
CID 31517500
3-(2-ethoxyethyl)-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 4065777
(4-ethoxyphenyl) 5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carboxylate
CID 15998645
3-[(3-fluorophenyl)methyl]-5-methyl-6-(4-propylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 23989927
N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 22330668
ethyl 5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 1078234
ethyl 5-methyl-4-oxo-3-[2-(4-propoxyphenoxy)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 8535164
6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244979
6-[(4aS,8aS)-5-acetyl-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-1,5-naphthyridine-1-carbonyl]-5-methyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 110133667
ethyl 1-[3-[(3-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate
CID 20969166

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate (CID 6618555) is ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate is CCCn1cnc2sc(C(=O)N3CCN(C(=O)OCC)CC3)c(C)c2c1=O.
What is the InChIKey of ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
The InChIKey is MZEMAMVPJQOFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-6-22-11-19-15-13(16(22)23)12(3)14(27-15)17(24)20-7-9-21(10-8-20)18(25)26-5-2/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate?
ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate has a molecular weight of 392.48 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methyl-4-oxo-3-propylthieno[2,3-d]pyrimidine-6-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 6618555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).