[4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate

C19H22F2N4O4 — CID 69159661

IUPAC[4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)ON1CCC(Oc2cc(Nc3cc(F)ccc3F)ncn2)CC1
InChIInChI=1S/C19H22F2N4O4/c1-12(2)27-19(26)29-25-7-5-14(6-8-25)28-18-10-17(22-11-23-18)24-16-9-13(20)3-4-15(16)21/h3-4,9-12,14H,5-8H2,1-2H3,(H,22,23,24)
InChIKeyCUSSCCTVCJKBCJ-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.82
Rot. Bonds6

About [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate

[4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate (PubChem CID 69159661) has the molecular formula C19H22F2N4O4 and a molecular weight of 408.41 g/mol. Its IUPAC name is [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
PubChem CID69159661
Molecular FormulaC19H22F2N4O4
Molecular Weight408.41 g/mol
Exact Mass408.16
IUPAC Name[4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)ON1CCC(Oc2cc(Nc3cc(F)ccc3F)ncn2)CC1
InChIInChI=1S/C19H22F2N4O4/c1-12(2)27-19(26)29-25-7-5-14(6-8-25)28-18-10-17(22-11-23-18)24-16-9-13(20)3-4-15(16)21/h3-4,9-12,14H,5-8H2,1-2H3,(H,22,23,24)
InChIKeyCUSSCCTVCJKBCJ-UHFFFAOYSA-N
XLogP3.82
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 69160848
[4-[6-(4-bromo-2,5-difluoroanilino)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534036
[4-[6-[2,5-difluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534067
tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate
CID 69162077
[4-[5-cyano-6-[4-(dimethylamino)-2-fluoroanilino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68533845
[4-[[2-(2-fluoro-4-methylsulfonylanilino)-3-hydroxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68564988
2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid
CID 68534963
[4-[[[6-[5-(2-aminoethylamino)-4-cyano-2-fluoroanilino]pyrimidin-4-yl]-ethylamino]methyl]piperidin-1-yl] propan-2-yl carbonate
CID 69159528
[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567838
[4-[6-(2-fluoro-4-thiophen-3-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68536818
[4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68534432
propan-2-yl 4-[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67540981

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate?
The IUPAC name of [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate (CID 69159661) is [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate.
What is the SMILES notation for [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate?
The canonical SMILES for [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate is CC(C)OC(=O)ON1CCC(Oc2cc(Nc3cc(F)ccc3F)ncn2)CC1.
What is the InChIKey of [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate?
The InChIKey is CUSSCCTVCJKBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O4/c1-12(2)27-19(26)29-25-7-5-14(6-8-25)28-18-10-17(22-11-23-18)24-16-9-13(20)3-4-15(16)21/h3-4,9-12,14H,5-8H2,1-2H3,(H,22,23,24).
What are the key properties of [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate?
[4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate has a molecular weight of 408.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate is sourced from PubChem (CID 69159661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).