2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid

C7H9N3O4S — CID 83852579

IUPAC2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid
SMILESCS(=O)(=O)c1nc(N)cc(CC(=O)O)n1
InChIInChI=1S/C7H9N3O4S/c1-15(13,14)7-9-4(3-6(11)12)2-5(8)10-7/h2H,3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyFOYNCQMKWWFHGZ-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.91
Rot. Bonds3

About 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid

2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid (PubChem CID 83852579) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid
PubChem CID83852579
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid
SMILESCS(=O)(=O)c1nc(N)cc(CC(=O)O)n1
InChIInChI=1S/C7H9N3O4S/c1-15(13,14)7-9-4(3-6(11)12)2-5(8)10-7/h2H,3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyFOYNCQMKWWFHGZ-UHFFFAOYSA-N
XLogP-0.91
TPSA123.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(aminomethyl)-2-methylsulfonylpyrimidin-4-amine
CID 83852131
2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid
CID 83852753
2-(6-amino-2-bromopyrimidin-4-yl)acetic acid
CID 83852589
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83864259
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
2-methylsulfonyl-6-pyridin-4-ylpyrimidin-4-amine
CID 69280571
2-(4,5-dimethyl-2-methylsulfonylphenyl)acetic acid
CID 117357836
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid
CID 83852529
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
4,6-dimethyl-2-methylsulfonylpyrimidine-5-carboxylic acid
CID 68683508
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid (CID 83852579) is 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid is CS(=O)(=O)c1nc(N)cc(CC(=O)O)n1.
What is the InChIKey of 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid?
The InChIKey is FOYNCQMKWWFHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-15(13,14)7-9-4(3-6(11)12)2-5(8)10-7/h2H,3H2,1H3,(H,11,12)(H2,8,9,10).
What are the key properties of 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid?
2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid has a molecular weight of 231.23 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-methylsulfonylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).