(2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol

C11H16F3N3O — CID 95329868

IUPAC(2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol
SMILESCC(C)C[C@@H](CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-7(2)5-8(6-18)16-10-15-4-3-9(17-10)11(12,13)14/h3-4,7-8,18H,5-6H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyRYUPMVOXSSDSGY-QMMMGPOBSA-N
MW263.26 g/mol
LogP2.31
Rot. Bonds5

About (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol

(2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol (PubChem CID 95329868) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol
PubChem CID95329868
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name(2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol
SMILESCC(C)C[C@@H](CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-7(2)5-8(6-18)16-10-15-4-3-9(17-10)11(12,13)14/h3-4,7-8,18H,5-6H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyRYUPMVOXSSDSGY-QMMMGPOBSA-N
XLogP2.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol?
The IUPAC name of (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol (CID 95329868) is (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol.
What is the SMILES notation for (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol?
The canonical SMILES for (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol is CC(C)C[C@@H](CO)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol?
The InChIKey is RYUPMVOXSSDSGY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)5-8(6-18)16-10-15-4-3-9(17-10)11(12,13)14/h3-4,7-8,18H,5-6H2,1-2H3,(H,15,16,17)/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol?
(2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 95329868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).