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

C24H32FN5O4 — CID 11202280

IUPACpropan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Nc2ccc(N3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C24H32FN5O4/c1-16(2)33-24(31)30-8-6-19(7-9-30)34-23-17(3)22(26-15-27-23)28-21-5-4-18(14-20(21)25)29-10-12-32-13-11-29/h4-5,14-16,19H,6-13H2,1-3H3,(H,26,27,28)
InChIKeyDNEKWRVZWQYSII-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.89
Rot. Bonds6

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

propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 11202280) has the molecular formula C24H32FN5O4 and a molecular weight of 473.55 g/mol. Its IUPAC name is propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID11202280
Molecular FormulaC24H32FN5O4
Molecular Weight473.55 g/mol
Exact Mass473.24
IUPAC Namepropan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Nc2ccc(N3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C24H32FN5O4/c1-16(2)33-24(31)30-8-6-19(7-9-30)34-23-17(3)22(26-15-27-23)28-21-5-4-18(14-20(21)25)29-10-12-32-13-11-29/h4-5,14-16,19H,6-13H2,1-3H3,(H,26,27,28)
InChIKeyDNEKWRVZWQYSII-UHFFFAOYSA-N
XLogP3.89
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.89
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-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 11202280) is propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Nc2ccc(N3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is DNEKWRVZWQYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O4/c1-16(2)33-24(31)30-8-6-19(7-9-30)34-23-17(3)22(26-15-27-23)28-21-5-4-18(14-20(21)25)29-10-12-32-13-11-29/h4-5,14-16,19H,6-13H2,1-3H3,(H,26,27,28).
What are the key properties of propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-(2-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 473.55 g/mol, XLogP of 3.89, 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-fluoro-4-morpholin-4-ylanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 11202280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).