5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid

C10H8N4O2 — CID 156842800

IUPAC5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)nc1-c1cnccn1
InChIInChI=1S/C10H8N4O2/c1-6-4-13-9(10(15)16)14-8(6)7-5-11-2-3-12-7/h2-5H,1H3,(H,15,16)
InChIKeyAMISUBCHXISUHC-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.94
Rot. Bonds2

About 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid

5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid (PubChem CID 156842800) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid
PubChem CID156842800
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)nc1-c1cnccn1
InChIInChI=1S/C10H8N4O2/c1-6-4-13-9(10(15)16)14-8(6)7-5-11-2-3-12-7/h2-5H,1H3,(H,15,16)
InChIKeyAMISUBCHXISUHC-UHFFFAOYSA-N
XLogP0.94
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid?
The IUPAC name of 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid (CID 156842800) is 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid is Cc1cnc(C(=O)O)nc1-c1cnccn1.
What is the InChIKey of 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid?
The InChIKey is AMISUBCHXISUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-6-4-13-9(10(15)16)14-8(6)7-5-11-2-3-12-7/h2-5H,1H3,(H,15,16).
What are the key properties of 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid?
5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 156842800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).