5-methylpyrimidine-2,4-diolate

C5H4N2O2-2 — CID 101216533

IUPAC5-methylpyrimidine-2,4-diolate
SMILESCc1cnc([O-])nc1[O-]
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)/p-2
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-L
MW124.10 g/mol
LogP-1.07
Rot. Bonds

About 5-methylpyrimidine-2,4-diolate

5-methylpyrimidine-2,4-diolate (PubChem CID 101216533) has the molecular formula C5H4N2O2-2 and a molecular weight of 124.10 g/mol. Its IUPAC name is 5-methylpyrimidine-2,4-diolate.

Molecular Properties

Compound Name5-methylpyrimidine-2,4-diolate
PubChem CID101216533
Molecular FormulaC5H4N2O2-2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Name5-methylpyrimidine-2,4-diolate
SMILESCc1cnc([O-])nc1[O-]
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)/p-2
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-L
XLogP-1.07
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylpyrimidine-2,4-diolate?
The IUPAC name of 5-methylpyrimidine-2,4-diolate (CID 101216533) is 5-methylpyrimidine-2,4-diolate.
What is the SMILES notation for 5-methylpyrimidine-2,4-diolate?
The canonical SMILES for 5-methylpyrimidine-2,4-diolate is Cc1cnc([O-])nc1[O-].
What is the InChIKey of 5-methylpyrimidine-2,4-diolate?
The InChIKey is RWQNBRDOKXIBIV-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)/p-2.
What are the key properties of 5-methylpyrimidine-2,4-diolate?
5-methylpyrimidine-2,4-diolate has a molecular weight of 124.10 g/mol, XLogP of -1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrimidine-2,4-diolate is sourced from PubChem (CID 101216533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).