1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one

C14H20F3N5O2 — CID 141126367

IUPAC1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCOC(CNc2nc(N)ncc2C(F)(F)F)C1
InChIInChI=1S/C14H20F3N5O2/c1-8(2)12(23)22-3-4-24-9(7-22)5-19-11-10(14(15,16)17)6-20-13(18)21-11/h6,8-9H,3-5,7H2,1-2H3,(H3,18,19,20,21)
InChIKeyIAQLUOOUXUQZDD-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.37
Rot. Bonds4

About 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one

1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one (PubChem CID 141126367) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one
PubChem CID141126367
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC Name1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCOC(CNc2nc(N)ncc2C(F)(F)F)C1
InChIInChI=1S/C14H20F3N5O2/c1-8(2)12(23)22-3-4-24-9(7-22)5-19-11-10(14(15,16)17)6-20-13(18)21-11/h6,8-9H,3-5,7H2,1-2H3,(H3,18,19,20,21)
InChIKeyIAQLUOOUXUQZDD-UHFFFAOYSA-N
XLogP1.37
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one (CID 141126367) is 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCOC(CNc2nc(N)ncc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one?
The InChIKey is IAQLUOOUXUQZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-8(2)12(23)22-3-4-24-9(7-22)5-19-11-10(14(15,16)17)6-20-13(18)21-11/h6,8-9H,3-5,7H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one?
1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one has a molecular weight of 347.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 141126367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).