2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid

C16H17FN2O2 — CID 79218581

IUPAC2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2ccc(F)cc2)nc(CC)c1CC(=O)O
InChIInChI=1S/C16H17FN2O2/c1-3-13-12(9-15(20)21)14(4-2)19-16(18-13)10-5-7-11(17)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyMVZKLCUVBXZBOV-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.03
Rot. Bonds5

About 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid

2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid (PubChem CID 79218581) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid
PubChem CID79218581
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2ccc(F)cc2)nc(CC)c1CC(=O)O
InChIInChI=1S/C16H17FN2O2/c1-3-13-12(9-15(20)21)14(4-2)19-16(18-13)10-5-7-11(17)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyMVZKLCUVBXZBOV-UHFFFAOYSA-N
XLogP3.03
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,6-diethyl-2-(3-fluorophenyl)pyrimidin-5-yl]acetic acid
CID 79219332
2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid
CID 79218431
5-bromo-6-ethyl-2-(4-fluorophenyl)pyrimidin-4-amine
CID 66298635
2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid
CID 79219022
2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid
CID 82901907
2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
CID 18073377
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869699
2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 5212090
2-[6-chloro-3-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 131869785
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
6-(ethylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82169806
2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131869550

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid (CID 79218581) is 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid is CCc1nc(-c2ccc(F)cc2)nc(CC)c1CC(=O)O.
What is the InChIKey of 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid?
The InChIKey is MVZKLCUVBXZBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-13-12(9-15(20)21)14(4-2)19-16(18-13)10-5-7-11(17)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid?
2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid has a molecular weight of 288.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(4-fluorophenyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 79218581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).