6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid

C16H17FN4O2 — CID 167900008

IUPAC6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CCN(c3cccc(F)c3)CC2)ncn1
InChIInChI=1S/C16H17FN4O2/c17-11-2-1-3-13(8-11)21-6-4-12(5-7-21)20-15-9-14(16(22)23)18-10-19-15/h1-3,8-10,12H,4-7H2,(H,22,23)(H,18,19,20)
InChIKeyIXVRRGZGFVOEMG-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.39
Rot. Bonds4

About 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid

6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid (PubChem CID 167900008) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
PubChem CID167900008
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CCN(c3cccc(F)c3)CC2)ncn1
InChIInChI=1S/C16H17FN4O2/c17-11-2-1-3-13(8-11)21-6-4-12(5-7-21)20-15-9-14(16(22)23)18-10-19-15/h1-3,8-10,12H,4-7H2,(H,22,23)(H,18,19,20)
InChIKeyIXVRRGZGFVOEMG-UHFFFAOYSA-N
XLogP2.39
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
CID 165146859
ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352750
6-[(1-methylazetidin-3-yl)amino]pyrimidine-4-carboxylic acid
CID 131142279
[6-(3-fluoroanilino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352947
1-[6-[[1-(3-methylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134706665
7-(3-fluorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
CID 139320854
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 162368315
4-(azepan-1-yl)-N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]pyridin-2-amine
CID 171540304
1-[1-(3-fluorophenyl)piperidin-4-yl]-3-(2-hydroxyethyl)urea
CID 111437646
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 166070841

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid (CID 167900008) is 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid is O=C(O)c1cc(NC2CCN(c3cccc(F)c3)CC2)ncn1.
What is the InChIKey of 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
The InChIKey is IXVRRGZGFVOEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-11-2-1-3-13(8-11)21-6-4-12(5-7-21)20-15-9-14(16(22)23)18-10-19-15/h1-3,8-10,12H,4-7H2,(H,22,23)(H,18,19,20).
What are the key properties of 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-fluorophenyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 167900008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).