methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate

C8H10N2O3S — CID 135463590

IUPACmethyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(SC)[nH]c1=O
InChIInChI=1S/C8H10N2O3S/c1-4-5(7(12)13-2)6(11)10-8(9-4)14-3/h1-3H3,(H,9,10,11)
InChIKeyHQFZOIXHBDZPOZ-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.59
Rot. Bonds2

About methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate

methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 135463590) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID135463590
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Namemethyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(SC)[nH]c1=O
InChIInChI=1S/C8H10N2O3S/c1-4-5(7(12)13-2)6(11)10-8(9-4)14-3/h1-3H3,(H,9,10,11)
InChIKeyHQFZOIXHBDZPOZ-UHFFFAOYSA-N
XLogP0.59
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
methyl 2-methylsulfanyl-4-oxo-3H-quinazoline-7-carboxylate
CID 135657698
4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135431182
4-(1-carboxyethyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 171106366
N-cycloheptyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135783256
methyl 5-(4-methoxyphenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135449648
methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 158349743
5-[(4-methoxyphenyl)methyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135547375
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
methyl 5-methyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate
CID 151631715
N-(5-methylhexan-2-yl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137296546
[(1R,2R)-2-methoxycyclohexyl] 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 136702331

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate (CID 135463590) is methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate is COC(=O)c1c(C)nc(SC)[nH]c1=O.
What is the InChIKey of methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is HQFZOIXHBDZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-4-5(7(12)13-2)6(11)10-8(9-4)14-3/h1-3H3,(H,9,10,11).
What are the key properties of methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate?
methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 214.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 135463590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).