propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C24H31F2N5O4 — CID 59856775

IUPACpropan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Nc2cc(F)c(N3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C24H31F2N5O4/c1-15(2)34-24(32)31-6-4-17(5-7-31)35-23-16(3)22(27-14-28-23)29-20-12-19(26)21(13-18(20)25)30-8-10-33-11-9-30/h12-15,17H,4-11H2,1-3H3,(H,27,28,29)
InChIKeyFUVPFNOSJYGLPK-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.03
Rot. Bonds6

About propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 59856775) has the molecular formula C24H31F2N5O4 and a molecular weight of 491.54 g/mol. Its IUPAC name is propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID59856775
Molecular FormulaC24H31F2N5O4
Molecular Weight491.54 g/mol
Exact Mass491.23
IUPAC Namepropan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Nc2cc(F)c(N3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C24H31F2N5O4/c1-15(2)34-24(32)31-6-4-17(5-7-31)35-23-16(3)22(27-14-28-23)29-20-12-19(26)21(13-18(20)25)30-8-10-33-11-9-30/h12-15,17H,4-11H2,1-3H3,(H,27,28,29)
InChIKeyFUVPFNOSJYGLPK-UHFFFAOYSA-N
XLogP4.03
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 59856775) is propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Nc2cc(F)c(N3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is FUVPFNOSJYGLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N5O4/c1-15(2)34-24(32)31-6-4-17(5-7-31)35-23-16(3)22(27-14-28-23)29-20-12-19(26)21(13-18(20)25)30-8-10-33-11-9-30/h12-15,17H,4-11H2,1-3H3,(H,27,28,29).
What are the key properties of propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 491.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-(2,5-difluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 59856775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).