2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid

C9H13N3O5S — CID 20709859

IUPAC2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid
SMILESCc1nc(C)n(CC(=O)O)c(=O)c1NS(C)(=O)=O
InChIInChI=1S/C9H13N3O5S/c1-5-8(11-18(3,16)17)9(15)12(4-7(13)14)6(2)10-5/h11H,4H2,1-3H3,(H,13,14)
InChIKeyGFHMGXUOSWWWKM-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.68
Rot. Bonds4

About 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid

2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid (PubChem CID 20709859) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid
PubChem CID20709859
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid
SMILESCc1nc(C)n(CC(=O)O)c(=O)c1NS(C)(=O)=O
InChIInChI=1S/C9H13N3O5S/c1-5-8(11-18(3,16)17)9(15)12(4-7(13)14)6(2)10-5/h11H,4H2,1-3H3,(H,13,14)
InChIKeyGFHMGXUOSWWWKM-UHFFFAOYSA-N
XLogP-0.68
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide
CID 20709867
2-(5-Amino-2,4-dimethyl-6-oxopyrimidin-1-yl)acetic acid
CID 53645067

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid (CID 20709859) is 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid is Cc1nc(C)n(CC(=O)O)c(=O)c1NS(C)(=O)=O.
What is the InChIKey of 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid?
The InChIKey is GFHMGXUOSWWWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-5-8(11-18(3,16)17)9(15)12(4-7(13)14)6(2)10-5/h11H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid?
2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid has a molecular weight of 275.29 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methanesulfonamido)-2,4-dimethyl-6-oxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 20709859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).