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

C10H8N4O2 — CID 63987300

IUPAC4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccncn2)ncc1C(=O)O
InChIInChI=1S/C10H8N4O2/c1-6-7(10(15)16)4-12-9(14-6)8-2-3-11-5-13-8/h2-5H,1H3,(H,15,16)
InChIKeyQURMHNNUEVKLNZ-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.94
Rot. Bonds2

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

4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 63987300) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
PubChem CID63987300
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccncn2)ncc1C(=O)O
InChIInChI=1S/C10H8N4O2/c1-6-7(10(15)16)4-12-9(14-6)8-2-3-11-5-13-8/h2-5H,1H3,(H,15,16)
InChIKeyQURMHNNUEVKLNZ-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 4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid (CID 63987300) is 4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid is Cc1nc(-c2ccncn2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is QURMHNNUEVKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-6-7(10(15)16)4-12-9(14-6)8-2-3-11-5-13-8/h2-5H,1H3,(H,15,16).
What are the key properties of 4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
4-methyl-2-pyrimidin-4-ylpyrimidine-5-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 4-methyl-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 63987300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).