6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid

C14H15FN6O3 — CID 59744061

IUPAC6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid
SMILESNc1nc(OC2CCN(c3cc(C(=O)O)ncn3)CC2)ncc1F
InChIInChI=1S/C14H15FN6O3/c15-9-6-17-14(20-12(9)16)24-8-1-3-21(4-2-8)11-5-10(13(22)23)18-7-19-11/h5-8H,1-4H2,(H,22,23)(H2,16,17,20)
InChIKeyIVQKYBRPAJXWGU-UHFFFAOYSA-N
MW334.31 g/mol
LogP0.73
Rot. Bonds4

About 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid

6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid (PubChem CID 59744061) has the molecular formula C14H15FN6O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid
PubChem CID59744061
Molecular FormulaC14H15FN6O3
Molecular Weight334.31 g/mol
Exact Mass334.12
IUPAC Name6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid
SMILESNc1nc(OC2CCN(c3cc(C(=O)O)ncn3)CC2)ncc1F
InChIInChI=1S/C14H15FN6O3/c15-9-6-17-14(20-12(9)16)24-8-1-3-21(4-2-8)11-5-10(13(22)23)18-7-19-11/h5-8H,1-4H2,(H,22,23)(H2,16,17,20)
InChIKeyIVQKYBRPAJXWGU-UHFFFAOYSA-N
XLogP0.73
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-fluoro-2-[1-(6-phenylpyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
CID 59744054
5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
CID 46879755
2-[1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
CID 25026089
2-[6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidin-4-yl]oxybenzonitrile
CID 46879753
6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 70915631
2-[6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 45375949
2-[2-[1-[6-(1-benzothiophen-2-yl)pyrimidin-4-yl]piperidin-4-yl]ethoxy]-5-fluoropyrimidin-4-amine
CID 46879632
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
6-[(3R,5S)-3-fluoro-5-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]pyrimidine-4-carboxylic acid
CID 167970296
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate;1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175877328
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine
CID 139028665
6-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]pyrimidine-4-carboxylic acid
CID 58386616

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid (CID 59744061) is 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid is Nc1nc(OC2CCN(c3cc(C(=O)O)ncn3)CC2)ncc1F.
What is the InChIKey of 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid?
The InChIKey is IVQKYBRPAJXWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O3/c15-9-6-17-14(20-12(9)16)24-8-1-3-21(4-2-8)11-5-10(13(22)23)18-7-19-11/h5-8H,1-4H2,(H,22,23)(H2,16,17,20).
What are the key properties of 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid?
6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid has a molecular weight of 334.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 59744061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).