ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate

C15H21N3O4S — CID 78507881

IUPACethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(=O)N=C1SCC(=O)NC1CCCC1
InChIInChI=1S/C15H21N3O4S/c1-3-22-14(20)12-9(2)16-15(21)18-13(12)23-8-11(19)17-10-6-4-5-7-10/h10,12H,3-8H2,1-2H3,(H,17,19)
InChIKeyRQYPBDYPQHVYGX-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.95
Rot. Bonds5

About ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate

ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate (PubChem CID 78507881) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate
PubChem CID78507881
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Nameethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(=O)N=C1SCC(=O)NC1CCCC1
InChIInChI=1S/C15H21N3O4S/c1-3-22-14(20)12-9(2)16-15(21)18-13(12)23-8-11(19)17-10-6-4-5-7-10/h10,12H,3-8H2,1-2H3,(H,17,19)
InChIKeyRQYPBDYPQHVYGX-UHFFFAOYSA-N
XLogP1.95
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

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CID 1147238
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CID 27045923
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 55206580
ethyl 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
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N-cyclooctyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
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N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
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N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate (CID 78507881) is ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate is CCOC(=O)C1C(C)=NC(=O)N=C1SCC(=O)NC1CCCC1.
What is the InChIKey of ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate?
The InChIKey is RQYPBDYPQHVYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-3-22-14(20)12-9(2)16-15(21)18-13(12)23-8-11(19)17-10-6-4-5-7-10/h10,12H,3-8H2,1-2H3,(H,17,19).
What are the key properties of ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate?
ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-5H-pyrimidine-5-carboxylate is sourced from PubChem (CID 78507881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).