1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one

C19H21F3N6O2 — CID 59507788

IUPAC1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H21F3N6O2/c20-19(21,22)13-9-15(23)24-11-12(13)14-10-16(28-4-2-1-3-17(28)29)26-18(25-14)27-5-7-30-8-6-27/h9-11H,1-8H2,(H2,23,24)
InChIKeyVMNJRUHRPRIOQT-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.49
Rot. Bonds3

About 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one

1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one (PubChem CID 59507788) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
PubChem CID59507788
Molecular FormulaC19H21F3N6O2
Molecular Weight422.41 g/mol
Exact Mass422.17
IUPAC Name1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H21F3N6O2/c20-19(21,22)13-9-15(23)24-11-12(13)14-10-16(28-4-2-1-3-17(28)29)26-18(25-14)27-5-7-30-8-6-27/h9-11H,1-8H2,(H2,23,24)
InChIKeyVMNJRUHRPRIOQT-UHFFFAOYSA-N
XLogP2.49
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one (CID 59507788) is 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one is Nc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
The InChIKey is VMNJRUHRPRIOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2/c20-19(21,22)13-9-15(23)24-11-12(13)14-10-16(28-4-2-1-3-17(28)29)26-18(25-14)27-5-7-30-8-6-27/h9-11H,1-8H2,(H2,23,24).
What are the key properties of 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one has a molecular weight of 422.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one is sourced from PubChem (CID 59507788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).