[methyl-(5-methylpyrimidin-2-yl)amino] sulfite

C6H8N3O3S- — CID 174860336

IUPAC[methyl-(5-methylpyrimidin-2-yl)amino] sulfite
SMILESCc1cnc(N(C)OS(=O)[O-])nc1
InChIInChI=1S/C6H9N3O3S/c1-5-3-7-6(8-4-5)9(2)12-13(10)11/h3-4H,1-2H3,(H,10,11)/p-1
InChIKeyRZFSDTPBLBJWPX-UHFFFAOYSA-M
MW202.22 g/mol
LogP-0.05
Rot. Bonds3

About [methyl-(5-methylpyrimidin-2-yl)amino] sulfite

[methyl-(5-methylpyrimidin-2-yl)amino] sulfite (PubChem CID 174860336) has the molecular formula C6H8N3O3S- and a molecular weight of 202.22 g/mol. Its IUPAC name is [methyl-(5-methylpyrimidin-2-yl)amino] sulfite.

Molecular Properties

Compound Name[methyl-(5-methylpyrimidin-2-yl)amino] sulfite
PubChem CID174860336
Molecular FormulaC6H8N3O3S-
Molecular Weight202.22 g/mol
Exact Mass202.03
IUPAC Name[methyl-(5-methylpyrimidin-2-yl)amino] sulfite
SMILESCc1cnc(N(C)OS(=O)[O-])nc1
InChIInChI=1S/C6H9N3O3S/c1-5-3-7-6(8-4-5)9(2)12-13(10)11/h3-4H,1-2H3,(H,10,11)/p-1
InChIKeyRZFSDTPBLBJWPX-UHFFFAOYSA-M
XLogP-0.05
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(sulfinooxy)amino]pyrimidine-5-carboxylic acid
CID 174724908
(5-methylpyrimidin-2-yl)methanesulfinate
CID 174570493
CID 23404927
CID 23404927
N-[4-(aminomethyl)phenyl]-N,5-dimethylpyrimidin-2-amine
CID 55161656
[methyl(naphthalen-2-yl)amino] sulfite
CID 174392353
(2S)-2-ethoxy-2-(5-methylpyrimidin-2-yl)ethanesulfinate
CID 138517454
N,5-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 130679981
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
2-N-methyl-2-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 104556690
N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171701097
lithium 5-methylpyrazine-2-sulfinate
CID 170898006
(5-methylpyrimidin-2-yl)methanesulfinic acid
CID 174570494

Frequently Asked Questions

What is the IUPAC name of [methyl-(5-methylpyrimidin-2-yl)amino] sulfite?
The IUPAC name of [methyl-(5-methylpyrimidin-2-yl)amino] sulfite (CID 174860336) is [methyl-(5-methylpyrimidin-2-yl)amino] sulfite.
What is the SMILES notation for [methyl-(5-methylpyrimidin-2-yl)amino] sulfite?
The canonical SMILES for [methyl-(5-methylpyrimidin-2-yl)amino] sulfite is Cc1cnc(N(C)OS(=O)[O-])nc1.
What is the InChIKey of [methyl-(5-methylpyrimidin-2-yl)amino] sulfite?
The InChIKey is RZFSDTPBLBJWPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9N3O3S/c1-5-3-7-6(8-4-5)9(2)12-13(10)11/h3-4H,1-2H3,(H,10,11)/p-1.
What are the key properties of [methyl-(5-methylpyrimidin-2-yl)amino] sulfite?
[methyl-(5-methylpyrimidin-2-yl)amino] sulfite has a molecular weight of 202.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(5-methylpyrimidin-2-yl)amino] sulfite is sourced from PubChem (CID 174860336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).