1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one

C18H20F3N7O2 — CID 138961887

IUPAC1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
SMILESNc1ncc(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N7O2/c19-18(20,21)15-11(10-23-16(22)26-15)12-9-13(28-4-2-1-3-14(28)29)25-17(24-12)27-5-7-30-8-6-27/h9-10H,1-8H2,(H2,22,23,26)
InChIKeyYZUIPQWDZYBIRN-UHFFFAOYSA-N
MW423.40 g/mol
LogP1.89
Rot. Bonds3

About 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one

1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one (PubChem CID 138961887) has the molecular formula C18H20F3N7O2 and a molecular weight of 423.40 g/mol. Its IUPAC name is 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
PubChem CID138961887
Molecular FormulaC18H20F3N7O2
Molecular Weight423.40 g/mol
Exact Mass423.16
IUPAC Name1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
SMILESNc1ncc(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N7O2/c19-18(20,21)15-11(10-23-16(22)26-15)12-9-13(28-4-2-1-3-14(28)29)25-17(24-12)27-5-7-30-8-6-27/h9-10H,1-8H2,(H2,22,23,26)
InChIKeyYZUIPQWDZYBIRN-UHFFFAOYSA-N
XLogP1.89
TPSA110.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one (CID 138961887) is 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one is Nc1ncc(-c2cc(N3CCCCC3=O)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
The InChIKey is YZUIPQWDZYBIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O2/c19-18(20,21)15-11(10-23-16(22)26-15)12-9-13(28-4-2-1-3-14(28)29)25-17(24-12)27-5-7-30-8-6-27/h9-10H,1-8H2,(H2,22,23,26).
What are the key properties of 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one?
1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one has a molecular weight of 423.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one is sourced from PubChem (CID 138961887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).