(2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol

C13H12ClFN2O — CID 87138285

IUPAC(2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol
SMILESC[C@](O)(Cc1ccccc1)c1nc(Cl)ncc1F
InChIInChI=1S/C13H12ClFN2O/c1-13(18,7-9-5-3-2-4-6-9)11-10(15)8-16-12(14)17-11/h2-6,8,18H,7H2,1H3/t13-/m0/s1
InChIKeyXMOOESLFVGQRIF-ZDUSSCGKSA-N
MW266.70 g/mol
LogP2.72
Rot. Bonds3

About (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol

(2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol (PubChem CID 87138285) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol
PubChem CID87138285
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name(2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol
SMILESC[C@](O)(Cc1ccccc1)c1nc(Cl)ncc1F
InChIInChI=1S/C13H12ClFN2O/c1-13(18,7-9-5-3-2-4-6-9)11-10(15)8-16-12(14)17-11/h2-6,8,18H,7H2,1H3/t13-/m0/s1
InChIKeyXMOOESLFVGQRIF-ZDUSSCGKSA-N
XLogP2.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 79081085
4-benzylsulfanyl-2-chloro-5-fluoropyrimidine
CID 79075704
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
diethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanedioate
CID 86725111
1-(4-chlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83124840
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 174484934
2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide
CID 146281567
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192316

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol?
The IUPAC name of (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol (CID 87138285) is (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol.
What is the SMILES notation for (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol?
The canonical SMILES for (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol is C[C@](O)(Cc1ccccc1)c1nc(Cl)ncc1F.
What is the InChIKey of (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol?
The InChIKey is XMOOESLFVGQRIF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-13(18,7-9-5-3-2-4-6-9)11-10(15)8-16-12(14)17-11/h2-6,8,18H,7H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol?
(2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol has a molecular weight of 266.70 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1-phenylpropan-2-ol is sourced from PubChem (CID 87138285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).