methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate

C11H15N3O4S — CID 38839164

IUPACmethyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
SMILESCCNC(=O)CSc1nc(=O)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C11H15N3O4S/c1-4-12-7(15)5-19-9-8(10(16)18-3)6(2)13-11(17)14-9/h4-5H2,1-3H3,(H,12,15)(H,13,14,17)
InChIKeyVCUZBSLWAMPTFB-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.09
Rot. Bonds5

About methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate

methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 38839164) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
PubChem CID38839164
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Namemethyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
SMILESCCNC(=O)CSc1nc(=O)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C11H15N3O4S/c1-4-12-7(15)5-19-9-8(10(16)18-3)6(2)13-11(17)14-9/h4-5H2,1-3H3,(H,12,15)(H,13,14,17)
InChIKeyVCUZBSLWAMPTFB-UHFFFAOYSA-N
XLogP0.09
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate (CID 38839164) is methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate is CCNC(=O)CSc1nc(=O)[nH]c(C)c1C(=O)OC.
What is the InChIKey of methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is VCUZBSLWAMPTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-4-12-7(15)5-19-9-8(10(16)18-3)6(2)13-11(17)14-9/h4-5H2,1-3H3,(H,12,15)(H,13,14,17).
What are the key properties of methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate?
methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(ethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 38839164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).