methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate

C9H12N2O2S — CID 112725166

IUPACmethyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(C)nc1SC
InChIInChI=1S/C9H12N2O2S/c1-5-7(9(12)13-3)8(14-4)11-6(2)10-5/h1-4H3
InChIKeySDACCRMNXXYONO-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.60
Rot. Bonds2

About methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate

methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate (PubChem CID 112725166) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
PubChem CID112725166
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Namemethyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(C)nc1SC
InChIInChI=1S/C9H12N2O2S/c1-5-7(9(12)13-3)8(14-4)11-6(2)10-5/h1-4H3
InChIKeySDACCRMNXXYONO-UHFFFAOYSA-N
XLogP1.60
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 64593244
N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 43500630
3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62676218
4-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-3-methoxybutanoic acid
CID 103152929
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 64591148
methyl 4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 135463590
N-(3-hydroxy-2-methylpropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 65037508
(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 64593065
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(2,4-dimethyl-6-methylsulfanylpyrimidin-5-yl)methanone
CID 79411017
methyl 5-methyl-3-methylsulfanyl-1H-pyrazole-4-carboxylate
CID 151631715
(2R)-4-amino-2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
CID 107821364

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate (CID 112725166) is methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(C)nc1SC.
What is the InChIKey of methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate?
The InChIKey is SDACCRMNXXYONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-5-7(9(12)13-3)8(14-4)11-6(2)10-5/h1-4H3.
What are the key properties of methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate?
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate has a molecular weight of 212.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate is sourced from PubChem (CID 112725166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).