methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate

C10H13N3O4S — CID 43623299

IUPACmethyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C10H13N3O4S/c1-5-7(8(15)11-4-6(14)17-2)9(18-3)13-10(16)12-5/h4H2,1-3H3,(H,11,15)(H,12,13,16)
InChIKeyJXBYOOKAITUIDY-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.30
Rot. Bonds4

About methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate

methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate (PubChem CID 43623299) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate
PubChem CID43623299
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Namemethyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C10H13N3O4S/c1-5-7(8(15)11-4-6(14)17-2)9(18-3)13-10(16)12-5/h4H2,1-3H3,(H,11,15)(H,12,13,16)
InChIKeyJXBYOOKAITUIDY-UHFFFAOYSA-N
XLogP-0.30
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate with MolForge

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Related Compounds

Ethyl 4-((2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl)thio)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
CID 7585618
methyl 4-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
CID 39969078
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43170569
3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43170686
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43170860
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 43353511
3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43354084
2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43356358
3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43357870
2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid
CID 43465448
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43469482
N-(2-hydroxyethyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43501015

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate (CID 43623299) is methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate is COC(=O)CNC(=O)c1c(SC)nc(=O)[nH]c1C.
What is the InChIKey of methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate?
The InChIKey is JXBYOOKAITUIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-5-7(8(15)11-4-6(14)17-2)9(18-3)13-10(16)12-5/h4H2,1-3H3,(H,11,15)(H,12,13,16).
What are the key properties of methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate?
methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate has a molecular weight of 271.30 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate is sourced from PubChem (CID 43623299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).