(2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol

C14H12ClF3N2O — CID 86326088

IUPAC(2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol
SMILESC[C@@H](c1ncnc(Cl)c1F)[C@@](C)(O)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF3N2O/c1-7(12-11(18)13(15)20-6-19-12)14(2,21)9-4-3-8(16)5-10(9)17/h3-7,21H,1-2H3/t7-,14+/m0/s1
InChIKeyWGWRADFMZDPUIH-JKYUHCHBSA-N
MW316.71 g/mol
LogP3.56
Rot. Bonds3

About (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol

(2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol (PubChem CID 86326088) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol
PubChem CID86326088
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name(2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol
SMILESC[C@@H](c1ncnc(Cl)c1F)[C@@](C)(O)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF3N2O/c1-7(12-11(18)13(15)20-6-19-12)14(2,21)9-4-3-8(16)5-10(9)17/h3-7,21H,1-2H3/t7-,14+/m0/s1
InChIKeyWGWRADFMZDPUIH-JKYUHCHBSA-N
XLogP3.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol with MolForge

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Related Compounds

Nuarimol
CID 91683
(2-Fluorophenyl)-(4-chlorophenyl)-(5-pyrimidinyl)carbinol
CID 15801114
(4-Chloro-phenyl)-(4-fluoro-phenyl)-pyrimidin-5-yl-methanol
CID 13813638
(4-Chloro-phenyl)-(3-fluoro-phenyl)-pyrimidin-5-yl-methanol
CID 13813682
Isopyrimol
CID 108328
(4-Chloro-phenyl)-cyclopropyl-pyrimidin-5-yl-methanol
CID 13813657
3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1)
CID 46941602
1-(4-Chlorophenyl)-1-pyrimidin-5-ylpentan-1-ol
CID 56665461
(4-Chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol
CID 56672512
(4-Chlorophenyl)-(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethanol
CID 56676127
(2R,3S)-rel-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
CID 29414414
1-(4-Chlorophenyl)-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 56665853

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol?
The IUPAC name of (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol (CID 86326088) is (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol?
The canonical SMILES for (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol is C[C@@H](c1ncnc(Cl)c1F)[C@@](C)(O)c1ccc(F)cc1F.
What is the InChIKey of (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol?
The InChIKey is WGWRADFMZDPUIH-JKYUHCHBSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-7(12-11(18)13(15)20-6-19-12)14(2,21)9-4-3-8(16)5-10(9)17/h3-7,21H,1-2H3/t7-,14+/m0/s1.
What are the key properties of (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol?
(2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol has a molecular weight of 316.71 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)butan-2-ol is sourced from PubChem (CID 86326088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).