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

C11H15N3O4S — CID 43623351

IUPACmethyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H15N3O4S/c1-6-8(9(19-4)13-11(17)12-6)10(16)14(2)5-7(15)18-3/h5H2,1-4H3,(H,12,13,17)
InChIKeyDHSVPMWKSILWBC-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.05
Rot. Bonds4

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

methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate (PubChem CID 43623351) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate
PubChem CID43623351
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Namemethyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H15N3O4S/c1-6-8(9(19-4)13-11(17)12-6)10(16)14(2)5-7(15)18-3/h5H2,1-4H3,(H,12,13,17)
InChIKeyDHSVPMWKSILWBC-UHFFFAOYSA-N
XLogP0.05
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43170569
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43170860
2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43356358
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
methyl 3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoate
CID 43623184
methyl 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate
CID 43623299
methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate
CID 43623521
2-[cyclopropylmethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43655551
N-(2-hydroxyethyl)-N,6-dimethyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 54879530
2-[ethyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 54900843
(2R)-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 54990550

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate (CID 43623351) is methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1c(SC)nc(=O)[nH]c1C.
What is the InChIKey of methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate?
The InChIKey is DHSVPMWKSILWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-6-8(9(19-4)13-11(17)12-6)10(16)14(2)5-7(15)18-3/h5H2,1-4H3,(H,12,13,17).
What are the key properties of methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate?
methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate has a molecular weight of 285.32 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetate is sourced from PubChem (CID 43623351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).