(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 71727256
1-[1-(3,4-Difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 78160981
1-[1-(3,5-Difluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89794863
Fenyripol Hydrochloride
CID 17118
(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530280
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530290
(1R)-2-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918507
4-[[4-[4-(Cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 67984037
1-Phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 70963358
1-[2-Hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 71728075
4-[[2-(2-Hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793177

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).