2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid

C14H13FN2O2 — CID 62746115

IUPAC2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cc2cccc(F)c2)nc(C)c1C(=O)O
InChIInChI=1S/C14H13FN2O2/c1-8-13(14(18)19)9(2)17-12(16-8)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyQXGKMQKSKCJKAI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.52
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid

2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 62746115) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID62746115
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cc2cccc(F)c2)nc(C)c1C(=O)O
InChIInChI=1S/C14H13FN2O2/c1-8-13(14(18)19)9(2)17-12(16-8)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyQXGKMQKSKCJKAI-UHFFFAOYSA-N
XLogP2.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 62745063
5-bromo-2-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 66306858
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
2-[(3-fluorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251169
4-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 84724580
5-[(3-fluorophenyl)methyl]-2-methylsulfonyl-1H-imidazole-4-carboxylic acid
CID 117224793
2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
2-tert-butyl-4-[(3-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 69474569
[2-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 62251604
3-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxylic acid
CID 115093000
2-ethyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid
CID 16778338
methyl 2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 113288023

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid (CID 62746115) is 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid is Cc1nc(Cc2cccc(F)c2)nc(C)c1C(=O)O.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is QXGKMQKSKCJKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-13(14(18)19)9(2)17-12(16-8)7-10-4-3-5-11(15)6-10/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid?
2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 62746115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).