5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C25H28F3N7O — CID 59507650

IUPAC5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(-c3cncc(CN4CCCCC4)c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H28F3N7O/c26-25(27,28)20-11-23(29)31-15-19(20)22-12-21(32-24(33-22)35-6-8-36-9-7-35)18-10-17(13-30-14-18)16-34-4-2-1-3-5-34/h10-15H,1-9,16H2,(H2,29,31)
InChIKeyUWUABTPZVFXHIT-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.02
Rot. Bonds5

About 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507650) has the molecular formula C25H28F3N7O and a molecular weight of 499.54 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507650
Molecular FormulaC25H28F3N7O
Molecular Weight499.54 g/mol
Exact Mass499.23
IUPAC Name5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(-c3cncc(CN4CCCCC4)c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C25H28F3N7O/c26-25(27,28)20-11-23(29)31-15-19(20)22-12-21(32-24(33-22)35-6-8-36-9-7-35)18-10-17(13-30-14-18)16-34-4-2-1-3-5-34/h10-15H,1-9,16H2,(H2,29,31)
InChIKeyUWUABTPZVFXHIT-UHFFFAOYSA-N
XLogP4.02
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507650) is 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(-c3cncc(CN4CCCCC4)c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UWUABTPZVFXHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N7O/c26-25(27,28)20-11-23(29)31-15-19(20)22-12-21(32-24(33-22)35-6-8-36-9-7-35)18-10-17(13-30-14-18)16-34-4-2-1-3-5-34/h10-15H,1-9,16H2,(H2,29,31).
What are the key properties of 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 499.54 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).