morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate

C19H20ClFN4O4 — CID 70247994

IUPACmorpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESO=C(ON1CCOCC1)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1Cl
InChIInChI=1S/C19H20ClFN4O4/c20-16-11-13(21)1-2-14(16)17-15(18(26)29-25-5-9-28-10-6-25)12-22-19(23-17)24-3-7-27-8-4-24/h1-2,11-12H,3-10H2
InChIKeyLZSKHCSBSTVTOG-UHFFFAOYSA-N
MW422.84 g/mol
LogP2.18
Rot. Bonds4

About morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate

morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate (PubChem CID 70247994) has the molecular formula C19H20ClFN4O4 and a molecular weight of 422.84 g/mol. Its IUPAC name is morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemorpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
PubChem CID70247994
Molecular FormulaC19H20ClFN4O4
Molecular Weight422.84 g/mol
Exact Mass422.12
IUPAC Namemorpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESO=C(ON1CCOCC1)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1Cl
InChIInChI=1S/C19H20ClFN4O4/c20-16-11-13(21)1-2-14(16)17-15(18(26)29-25-5-9-28-10-6-25)12-22-19(23-17)24-3-7-27-8-4-24/h1-2,11-12H,3-10H2
InChIKeyLZSKHCSBSTVTOG-UHFFFAOYSA-N
XLogP2.18
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate (CID 70247994) is morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate is O=C(ON1CCOCC1)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1Cl.
What is the InChIKey of morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate?
The InChIKey is LZSKHCSBSTVTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O4/c20-16-11-13(21)1-2-14(16)17-15(18(26)29-25-5-9-28-10-6-25)12-22-19(23-17)24-3-7-27-8-4-24/h1-2,11-12H,3-10H2.
What are the key properties of morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate?
morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate has a molecular weight of 422.84 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl 4-(2-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 70247994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).