1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid

C19H23FN4O2 — CID 121292863

IUPAC1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid
SMILESCCCc1cc(N2CCCCC2C(=O)O)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H23FN4O2/c1-2-5-15-12-17(24-11-4-3-6-16(24)18(25)26)23-19(22-15)21-14-9-7-13(20)8-10-14/h7-10,12,16H,2-6,11H2,1H3,(H,25,26)(H,21,22,23)
InChIKeyQQUNBRZQRIJBFX-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.76
Rot. Bonds6

About 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid

1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid (PubChem CID 121292863) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid
PubChem CID121292863
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid
SMILESCCCc1cc(N2CCCCC2C(=O)O)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H23FN4O2/c1-2-5-15-12-17(24-11-4-3-6-16(24)18(25)26)23-19(22-15)21-14-9-7-13(20)8-10-14/h7-10,12,16H,2-6,11H2,1H3,(H,25,26)(H,21,22,23)
InChIKeyQQUNBRZQRIJBFX-UHFFFAOYSA-N
XLogP3.76
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 121332247
1-[6-ethyl-2-(2-fluorophenyl)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767423
4-methyl-1-N-[4-(2-methylpyrrolidin-1-yl)-6-propylpyrimidin-2-yl]benzene-1,3-diamine
CID 77463321
N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 142767264
1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767542
N-[1-[2-[4-fluoro-3-(trifluoromethyl)anilino]-6-propylpyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride
CID 121292682
N-[1-[2-(4-fluoro-3-nitroanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 121332240
1-(2-ethyl-6-pyridin-4-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767481
2-[1-[2-[4-amino-3-(trifluoromethyl)anilino]-6-propylpyrimidin-4-yl]piperidin-3-yl]acetamide
CID 154504082
1-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidine-2-carboxylic acid
CID 56767437
5-[[4-[3-(ethylamino)piperidin-1-yl]-6-propylpyrimidin-2-yl]amino]-2-fluorobenzonitrile;dihydrochloride
CID 121292792
N-[(3S)-1-[2-(4-chloro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 121332116

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid (CID 121292863) is 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid is CCCc1cc(N2CCCCC2C(=O)O)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid?
The InChIKey is QQUNBRZQRIJBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-2-5-15-12-17(24-11-4-3-6-16(24)18(25)26)23-19(22-15)21-14-9-7-13(20)8-10-14/h7-10,12,16H,2-6,11H2,1H3,(H,25,26)(H,21,22,23).
What are the key properties of 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid?
1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid has a molecular weight of 358.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 121292863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).