(2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol

C10H14F3N3O2 — CID 71922756

IUPAC(2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESOC[C@@H](O)CN(CCC(F)(F)F)c1ncccn1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)2-5-16(6-8(18)7-17)9-14-3-1-4-15-9/h1,3-4,8,17-18H,2,5-7H2/t8-/m0/s1
InChIKeyULBRSECTAMSYGP-QMMMGPOBSA-N
MW265.23 g/mol
LogP0.59
Rot. Bonds6

About (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol

(2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (PubChem CID 71922756) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
PubChem CID71922756
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name(2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
SMILESOC[C@@H](O)CN(CCC(F)(F)F)c1ncccn1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)2-5-16(6-8(18)7-17)9-14-3-1-4-15-9/h1,3-4,8,17-18H,2,5-7H2/t8-/m0/s1
InChIKeyULBRSECTAMSYGP-QMMMGPOBSA-N
XLogP0.59
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Pyrimidin-2-yl)piperidin-4-ol
CID 20234098
(4-(Pyrimidin-2-yl)morpholin-2-yl)methanol
CID 54423499
1-(Pyrimidin-2-yl)ethan-1-ol
CID 17932922
(3R)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 51895262
(1S)-1-pyrimidin-2-ylethanol
CID 78998548
(2S)-3-[(5-bromopyrimidin-2-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 71973612
(2S)-3-[(5-chloropyrimidin-2-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 71973613
1-(Pyrimidin-2-yl)piperidin-3-ol
CID 24097085
1-(Pyrimidin-2-yl)azetidin-3-ol hydrochloride
CID 155858524
Pyrimidine, 2-chloro-4-(bis-2-hydroxyethyl)amino-
CID 13340662
2-(Pyrimidin-2-yl)ethan-1-ol
CID 22493585
(2S)-3-[(2-methylpyrimidin-4-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 75494902

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol (CID 71922756) is (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is OC[C@@H](O)CN(CCC(F)(F)F)c1ncccn1.
What is the InChIKey of (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
The InChIKey is ULBRSECTAMSYGP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)2-5-16(6-8(18)7-17)9-14-3-1-4-15-9/h1,3-4,8,17-18H,2,5-7H2/t8-/m0/s1.
What are the key properties of (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol?
(2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol has a molecular weight of 265.23 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[pyrimidin-2-yl(3,3,3-trifluoropropyl)amino]propane-1,2-diol is sourced from PubChem (CID 71922756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).