(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol

C14H14F3N3O — CID 95325911

IUPAC(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
SMILESOC[C@H](Cc1ccccc1)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-6-7-18-13(20-12)19-11(9-21)8-10-4-2-1-3-5-10/h1-7,11,21H,8-9H2,(H,18,19,20)/t11-/m0/s1
InChIKeyFABKSPQRGYZELS-NSHDSACASA-N
MW297.28 g/mol
LogP2.51
Rot. Bonds5

About (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol

(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 95325911) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
PubChem CID95325911
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
SMILESOC[C@H](Cc1ccccc1)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-6-7-18-13(20-12)19-11(9-21)8-10-4-2-1-3-5-10/h1-7,11,21H,8-9H2,(H,18,19,20)/t11-/m0/s1
InChIKeyFABKSPQRGYZELS-NSHDSACASA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol (CID 95325911) is (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol is OC[C@H](Cc1ccccc1)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is FABKSPQRGYZELS-NSHDSACASA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)12-6-7-18-13(20-12)19-11(9-21)8-10-4-2-1-3-5-10/h1-7,11,21H,8-9H2,(H,18,19,20)/t11-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 297.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 95325911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).