6-methylpyrimidine-4-sulfinic acid

C5H6N2O2S — CID 146013613

IUPAC6-methylpyrimidine-4-sulfinic acid
SMILESCc1cc(S(=O)O)ncn1
InChIInChI=1S/C5H6N2O2S/c1-4-2-5(10(8)9)7-3-6-4/h2-3H,1H3,(H,8,9)
InChIKeyMIYJKVVBNYDSTD-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.37
Rot. Bonds1

About 6-methylpyrimidine-4-sulfinic acid

6-methylpyrimidine-4-sulfinic acid (PubChem CID 146013613) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 6-methylpyrimidine-4-sulfinic acid.

Molecular Properties

Compound Name6-methylpyrimidine-4-sulfinic acid
PubChem CID146013613
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name6-methylpyrimidine-4-sulfinic acid
SMILESCc1cc(S(=O)O)ncn1
InChIInChI=1S/C5H6N2O2S/c1-4-2-5(10(8)9)7-3-6-4/h2-3H,1H3,(H,8,9)
InChIKeyMIYJKVVBNYDSTD-UHFFFAOYSA-N
XLogP0.37
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

CID 175435599
CID 175435599
4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine
CID 21259166
(6-methylpyrimidin-4-yl) hydrogen carbonate
CID 67791604
N-methoxy-N,6-dimethylpyrimidine-4-carboxamide
CID 121395327
2-(6-methylpyrimidin-4-yl)propanoic acid
CID 82597052
2-bromo-1-(6-methylpyrimidin-4-yl)ethanone
CID 160890814
(6-methylpyrimidin-4-yl) carbonochloridate
CID 83816428
(6-methylpyrimidin-4-yl)-(trihydroxy-λ5-phosphanylidene)sulfanium
CID 172819629
4,6-dimethylpyrimidine;4-sulfanylbenzoic acid
CID 70395158
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
3-(6-methylpyrimidin-4-yl)-3-oxopropanal
CID 55266139
N'-acetyl-6-methylpyrimidine-4-carbohydrazide
CID 142352273

Frequently Asked Questions

What is the IUPAC name of 6-methylpyrimidine-4-sulfinic acid?
The IUPAC name of 6-methylpyrimidine-4-sulfinic acid (CID 146013613) is 6-methylpyrimidine-4-sulfinic acid.
What is the SMILES notation for 6-methylpyrimidine-4-sulfinic acid?
The canonical SMILES for 6-methylpyrimidine-4-sulfinic acid is Cc1cc(S(=O)O)ncn1.
What is the InChIKey of 6-methylpyrimidine-4-sulfinic acid?
The InChIKey is MIYJKVVBNYDSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-4-2-5(10(8)9)7-3-6-4/h2-3H,1H3,(H,8,9).
What are the key properties of 6-methylpyrimidine-4-sulfinic acid?
6-methylpyrimidine-4-sulfinic acid has a molecular weight of 158.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrimidine-4-sulfinic acid is sourced from PubChem (CID 146013613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).