4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide

C25H29FN6O3 — CID 86305152

IUPAC4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3ccc(CN4CCOCC4)nc3)nc2)c(F)c(OC)c1
InChIInChI=1S/C25H29FN6O3/c1-27-24(33)19-11-18(23(26)22(12-19)34-2)4-3-17-13-29-25(30-14-17)31-20-5-6-21(28-15-20)16-32-7-9-35-10-8-32/h5-6,11-15H,3-4,7-10,16H2,1-2H3,(H,27,33)(H,29,30,31)
InChIKeyXGQMIFLONVQREV-UHFFFAOYSA-N
MW480.54 g/mol
LogP2.74
Rot. Bonds9

About 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide

4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide (PubChem CID 86305152) has the molecular formula C25H29FN6O3 and a molecular weight of 480.54 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide
PubChem CID86305152
Molecular FormulaC25H29FN6O3
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC Name4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1cc(CCc2cnc(Nc3ccc(CN4CCOCC4)nc3)nc2)c(F)c(OC)c1
InChIInChI=1S/C25H29FN6O3/c1-27-24(33)19-11-18(23(26)22(12-19)34-2)4-3-17-13-29-25(30-14-17)31-20-5-6-21(28-15-20)16-32-7-9-35-10-8-32/h5-6,11-15H,3-4,7-10,16H2,1-2H3,(H,27,33)(H,29,30,31)
InChIKeyXGQMIFLONVQREV-UHFFFAOYSA-N
XLogP2.74
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide (CID 86305152) is 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide is CNC(=O)c1cc(CCc2cnc(Nc3ccc(CN4CCOCC4)nc3)nc2)c(F)c(OC)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is XGQMIFLONVQREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3/c1-27-24(33)19-11-18(23(26)22(12-19)34-2)4-3-17-13-29-25(30-14-17)31-20-5-6-21(28-15-20)16-32-7-9-35-10-8-32/h5-6,11-15H,3-4,7-10,16H2,1-2H3,(H,27,33)(H,29,30,31).
What are the key properties of 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide?
4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 480.54 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-methyl-5-[2-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 86305152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).