1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone

C14H19F3N4O2 — CID 95554759

IUPAC1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@H](CNc2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C14H19F3N4O2/c1-10(22)21-6-7-23-12(9-21)8-19-13-18-5-3-11(20-13)2-4-14(15,16)17/h3,5,12H,2,4,6-9H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyCARVOKTXHZISQQ-GFCCVEGCSA-N
MW332.33 g/mol
LogP1.63
Rot. Bonds5

About 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone

1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone (PubChem CID 95554759) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone
PubChem CID95554759
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCO[C@H](CNc2nccc(CCC(F)(F)F)n2)C1
InChIInChI=1S/C14H19F3N4O2/c1-10(22)21-6-7-23-12(9-21)8-19-13-18-5-3-11(20-13)2-4-14(15,16)17/h3,5,12H,2,4,6-9H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyCARVOKTXHZISQQ-GFCCVEGCSA-N
XLogP1.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone (CID 95554759) is 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@H](CNc2nccc(CCC(F)(F)F)n2)C1.
What is the InChIKey of 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone?
The InChIKey is CARVOKTXHZISQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-10(22)21-6-7-23-12(9-21)8-19-13-18-5-3-11(20-13)2-4-14(15,16)17/h3,5,12H,2,4,6-9H2,1H3,(H,18,19,20)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone?
1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone has a molecular weight of 332.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 95554759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).