[5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C27H24FN5O3 — CID 71204086

IUPAC[5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cncc(-c2nccc(NCc3ccc(Oc4ccc(F)cc4)cc3)n2)c1)N1CCOCC1
InChIInChI=1S/C27H24FN5O3/c28-22-3-7-24(8-4-22)36-23-5-1-19(2-6-23)16-31-25-9-10-30-26(32-25)20-15-21(18-29-17-20)27(34)33-11-13-35-14-12-33/h1-10,15,17-18H,11-14,16H2,(H,30,31,32)
InChIKeyNJRKFIFAABNXBE-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.55
Rot. Bonds7

About [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 71204086) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID71204086
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Name[5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cncc(-c2nccc(NCc3ccc(Oc4ccc(F)cc4)cc3)n2)c1)N1CCOCC1
InChIInChI=1S/C27H24FN5O3/c28-22-3-7-24(8-4-22)36-23-5-1-19(2-6-23)16-31-25-9-10-30-26(32-25)20-15-21(18-29-17-20)27(34)33-11-13-35-14-12-33/h1-10,15,17-18H,11-14,16H2,(H,30,31,32)
InChIKeyNJRKFIFAABNXBE-UHFFFAOYSA-N
XLogP4.55
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 71204086) is [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cncc(-c2nccc(NCc3ccc(Oc4ccc(F)cc4)cc3)n2)c1)N1CCOCC1.
What is the InChIKey of [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is NJRKFIFAABNXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c28-22-3-7-24(8-4-22)36-23-5-1-19(2-6-23)16-31-25-9-10-30-26(32-25)20-15-21(18-29-17-20)27(34)33-11-13-35-14-12-33/h1-10,15,17-18H,11-14,16H2,(H,30,31,32).
What are the key properties of [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 485.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[[4-(4-fluorophenoxy)phenyl]methylamino]pyrimidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71204086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).