4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid

C20H16Cl2N2O2 — CID 142395274

IUPAC4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid
SMILESCc1nc(C(=O)O)nc(Cc2ccccc2Cl)c1Cc1ccccc1Cl
InChIInChI=1S/C20H16Cl2N2O2/c1-12-15(10-13-6-2-4-8-16(13)21)18(24-19(23-12)20(25)26)11-14-7-3-5-9-17(14)22/h2-9H,10-11H2,1H3,(H,25,26)
InChIKeyHKZCTLJFFKJDGO-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.97
Rot. Bonds5

About 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid

4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid (PubChem CID 142395274) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid
PubChem CID142395274
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid
SMILESCc1nc(C(=O)O)nc(Cc2ccccc2Cl)c1Cc1ccccc1Cl
InChIInChI=1S/C20H16Cl2N2O2/c1-12-15(10-13-6-2-4-8-16(13)21)18(24-19(23-12)20(25)26)11-14-7-3-5-9-17(14)22/h2-9H,10-11H2,1H3,(H,25,26)
InChIKeyHKZCTLJFFKJDGO-UHFFFAOYSA-N
XLogP4.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid
CID 142395221
5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine
CID 158447088
5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;[5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-yl]methanol
CID 157073818
magnesium;bis(5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylate);dihydrate
CID 161056174
6-[(2-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71695537
5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135475132
5-[(2-chlorophenyl)methyl]-2H-triazole-4-carboxylic acid
CID 103115040
4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-4-ethylsulfanyl-6-methylpyrimidine-2-carboxylic acid
CID 157460936
4-[5-[(2-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 46131267
[6-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3262969
4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 121012476
2-[(2-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360289

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid?
The IUPAC name of 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid (CID 142395274) is 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid?
The canonical SMILES for 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid is Cc1nc(C(=O)O)nc(Cc2ccccc2Cl)c1Cc1ccccc1Cl.
What is the InChIKey of 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid?
The InChIKey is HKZCTLJFFKJDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c1-12-15(10-13-6-2-4-8-16(13)21)18(24-19(23-12)20(25)26)11-14-7-3-5-9-17(14)22/h2-9H,10-11H2,1H3,(H,25,26).
What are the key properties of 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid?
4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid has a molecular weight of 387.27 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 142395274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).