5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine

C19H19FN6O2 — CID 46879633

IUPAC5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Oc4ccccc4)ncn3)CC2)ncc1F
InChIInChI=1S/C19H19FN6O2/c20-15-11-22-19(25-18(15)21)28-14-6-8-26(9-7-14)16-10-17(24-12-23-16)27-13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H2,21,22,25)
InChIKeyUVYXGIKORJAKAT-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.83
Rot. Bonds5

About 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine

5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine (PubChem CID 46879633) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
PubChem CID46879633
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Oc4ccccc4)ncn3)CC2)ncc1F
InChIInChI=1S/C19H19FN6O2/c20-15-11-22-19(25-18(15)21)28-14-6-8-26(9-7-14)16-10-17(24-12-23-16)27-13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H2,21,22,25)
InChIKeyUVYXGIKORJAKAT-UHFFFAOYSA-N
XLogP2.83
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)-4-methoxybenzonitrile
CID 45375948
2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
CID 46879856
2-(6-(4-(4-Aminopyrimidin-2-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
CID 46879893
(7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-pyrimidin-2-yl-octahydro-pyrido[1,2-a]pyrazine
CID 15512070
(7R,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydro-pyrido[1,2-a]pyrazine
CID 15817410
7-Phenoxymethyl-2-pyrimidin-2-yl-octahydro-pyrido[1,2-a]pyrazine
CID 21997225
5-Fluoro-2-(1-(5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 25026285
1-[3-(4-Fluorophenoxy)propyl]-4-pyridin-2-ylpiperazine
CID 44209472
2-(6-(4-(4-Amino-5-fluoropyrimidin-2-yloxy)piperidin-1-yl)pyrimidin-4-yloxy)benzonitrile
CID 46879753
8-(4-fluorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049998
N,N'-bis(4-ethoxyphenyl)-5-fluoropyrimidine-2,4-diamine
CID 1099108
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(1-pyrimidin-2-ylpiperidin-4-yl)methanamine
CID 10783359

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine (CID 46879633) is 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine is Nc1nc(OC2CCN(c3cc(Oc4ccccc4)ncn3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
The InChIKey is UVYXGIKORJAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-15-11-22-19(25-18(15)21)28-14-6-8-26(9-7-14)16-10-17(24-12-23-16)27-13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2,(H2,21,22,25).
What are the key properties of 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine?
5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine has a molecular weight of 382.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(6-phenoxypyrimidin-4-yl)piperidin-4-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 46879633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).