2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid

C12H10FN3O2 — CID 53430507

IUPAC2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C12H10FN3O2/c1-6-9(11(17)18)10(16-12(14)15-6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,17,18)(H2,14,15,16)
InChIKeyAXSDUUDFKYBVBA-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.87
Rot. Bonds2

About 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid

2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 53430507) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID53430507
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(N)nc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C12H10FN3O2/c1-6-9(11(17)18)10(16-12(14)15-6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,17,18)(H2,14,15,16)
InChIKeyAXSDUUDFKYBVBA-UHFFFAOYSA-N
XLogP1.87
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-6-(4-nitrophenyl)pyrimidine-5-carboxylic acid
CID 54851306
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
CID 54854058
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine
CID 43134540
2-amino-4-(4-fluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82472728
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853982
3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 135370970
2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide
CID 54851090

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid (CID 53430507) is 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid is Cc1nc(N)nc(-c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is AXSDUUDFKYBVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-6-9(11(17)18)10(16-12(14)15-6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid?
2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 53430507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).