2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid

C8H10N2O3S — CID 10059090

IUPAC2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCSc1nc(C)cc(=O)n1CC(=O)O
InChIInChI=1S/C8H10N2O3S/c1-5-3-6(11)10(4-7(12)13)8(9-5)14-2/h3H,4H2,1-2H3,(H,12,13)
InChIKeyYQRLQHQOVZEVEO-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.36
Rot. Bonds3

About 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid

2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 10059090) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid
PubChem CID10059090
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCSc1nc(C)cc(=O)n1CC(=O)O
InChIInChI=1S/C8H10N2O3S/c1-5-3-6(11)10(4-7(12)13)8(9-5)14-2/h3H,4H2,1-2H3,(H,12,13)
InChIKeyYQRLQHQOVZEVEO-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycine
CID 45106335
Methyl 6-methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinylacetate
CID 4049595
Ethyl 6-methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinylacetate
CID 4081868
(4-methyl-6-oxopyrimidin-1(6{H})-yl)acetic acid
CID 33676025
2-[2-Methylsulfanyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetic acid
CID 82667276
2-[2-Methylsulfanyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanoic acid
CID 84103459
2-(2-Methyl-4-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid
CID 57185797
3-Ethyl-6-methyl-2-methylsulfanylpyrimidin-4-one
CID 140183375
N,N-diethyl-2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide
CID 7748229
2-(1,4-Dimethyl-6-oxopyrimidin-2-yl)sulfanylacetic acid
CID 13700401
2-[Methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 43442387
2-[Methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 43442434

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid (CID 10059090) is 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid is CSc1nc(C)cc(=O)n1CC(=O)O.
What is the InChIKey of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is YQRLQHQOVZEVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-5-3-6(11)10(4-7(12)13)8(9-5)14-2/h3H,4H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid?
2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 214.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 10059090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).