(2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol

C14H14F2N2O2 — CID 57290484

IUPAC(2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol
SMILESC[C@H](c1ccncn1)[C@@](O)(CO)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O2/c1-9(13-4-5-17-8-18-13)14(20,7-19)11-3-2-10(15)6-12(11)16/h2-6,8-9,19-20H,7H2,1H3/t9-,14+/m1/s1
InChIKeyWARXXDHTJHRBRQ-OTYXRUKQSA-N
MW280.27 g/mol
LogP1.74
Rot. Bonds4

About (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol

(2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol (PubChem CID 57290484) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol.

Molecular Properties

Compound Name(2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol
PubChem CID57290484
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name(2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol
SMILESC[C@H](c1ccncn1)[C@@](O)(CO)c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O2/c1-9(13-4-5-17-8-18-13)14(20,7-19)11-3-2-10(15)6-12(11)16/h2-6,8-9,19-20H,7H2,1H3/t9-,14+/m1/s1
InChIKeyWARXXDHTJHRBRQ-OTYXRUKQSA-N
XLogP1.74
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol?
The IUPAC name of (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol (CID 57290484) is (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol.
What is the SMILES notation for (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol?
The canonical SMILES for (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol is C[C@H](c1ccncn1)[C@@](O)(CO)c1ccc(F)cc1F.
What is the InChIKey of (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol?
The InChIKey is WARXXDHTJHRBRQ-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-9(13-4-5-17-8-18-13)14(20,7-19)11-3-2-10(15)6-12(11)16/h2-6,8-9,19-20H,7H2,1H3/t9-,14+/m1/s1.
What are the key properties of (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol?
(2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol has a molecular weight of 280.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2,4-difluorophenyl)-3-pyrimidin-4-ylbutane-1,2-diol is sourced from PubChem (CID 57290484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).