propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C24H31FN4O5 — CID 11178974

IUPACpropan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(N3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C24H31FN4O5/c1-16(2)32-24(30)29-8-6-19(7-9-29)33-22-17(3)23(27-15-26-22)34-21-5-4-18(14-20(21)25)28-10-12-31-13-11-28/h4-5,14-16,19H,6-13H2,1-3H3
InChIKeyUAGMIFWTVRQHCS-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.94
Rot. Bonds6

About propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 11178974) has the molecular formula C24H31FN4O5 and a molecular weight of 474.53 g/mol. Its IUPAC name is propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID11178974
Molecular FormulaC24H31FN4O5
Molecular Weight474.53 g/mol
Exact Mass474.23
IUPAC Namepropan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(N3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C24H31FN4O5/c1-16(2)32-24(30)29-8-6-19(7-9-29)33-22-17(3)23(27-15-26-22)34-21-5-4-18(14-20(21)25)28-10-12-31-13-11-28/h4-5,14-16,19H,6-13H2,1-3H3
InChIKeyUAGMIFWTVRQHCS-UHFFFAOYSA-N
XLogP3.94
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 11178974) is propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Oc2ccc(N3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is UAGMIFWTVRQHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O5/c1-16(2)32-24(30)29-8-6-19(7-9-29)33-22-17(3)23(27-15-26-22)34-21-5-4-18(14-20(21)25)28-10-12-31-13-11-28/h4-5,14-16,19H,6-13H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 474.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 11178974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).