4-Methyl-2-(pyrimidin-2-yl)pyrimidine-5-carboxylic acid

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Basic information

Standard SMILES: Cc1nc(-c2ncccn2)ncc1C(=O)O
InChIKey: POXLFUQXVLWHGR-UHFFFAOYSA-N
Molecular formula: C10H8N4O2
Average molar mass: 216.2 g/mol
Monoisotopic mass: 216.06472551

Names & identifiers

Preferred name: 4-Methyl-2-(pyrimidin-2-yl)pyrimidine-5-carboxylic acid
IUPAC: 4-methyl-2-pyrimidin-2-ylpyrimidine-5-carboxylic acid

Names & synonyms

4-methyl-2-(pyrimidin-2-yl)pyrimidine-5-carboxylic acid1068975-54-14-methyl-[2,2']bipyrimidinyl-5-carboxylic acidSCHEMBL3220634POXLFUQXVLWHGR-UHFFFAOYSA-NAKOS010967581DA-391454-Methyl-[2,2]bipyrimidinyl-5-carboxylic acidEN300-6852562-pyrimidin-2-yl-4-methyl-pyrimidine-5-carboxylic acid4-methyl-2-(pyrimidin-2-yl)pyrimidine-5-carboxylicacid

Database identifiers

PubChem CID: 61699985

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 255

Related reactions

14 records

New reaction record

HRID 98641As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 134312As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 295306As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 302151As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1137444As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2315113As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2382026As productuspto-grants-2012_09

HRID 2382027As reactantuspto-grants-2012_09

Compound notes

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