2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol

C15H15ClFN3O2 — CID 137335375

IUPAC2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol
SMILESCc1cc(O)c(Cl)cc1-c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H15ClFN3O2/c1-9-6-13(21)11(16)7-10(9)14-18-8-12(17)15(19-14)20-2-4-22-5-3-20/h6-8,21H,2-5H2,1H3
InChIKeyXTFJZQQENNXQKH-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.79
Rot. Bonds2

About 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol

2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol (PubChem CID 137335375) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.75 g/mol. Its IUPAC name is 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol.

Molecular Properties

Compound Name2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol
PubChem CID137335375
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.75 g/mol
Exact Mass323.08
IUPAC Name2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol
SMILESCc1cc(O)c(Cl)cc1-c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H15ClFN3O2/c1-9-6-13(21)11(16)7-10(9)14-18-8-12(17)15(19-14)20-2-4-22-5-3-20/h6-8,21H,2-5H2,1H3
InChIKeyXTFJZQQENNXQKH-UHFFFAOYSA-N
XLogP2.79
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-methyl-4-(4-morpholin-4-ylphenyl)phenol
CID 137335517
[6-(5-chloro-4-hydroxy-2-methylphenyl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 137335621
(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol
CID 134254858
4-fluoro-2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)phenol
CID 110282197
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
CID 126433720
2,4-dichloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 135846631
4-[[3-fluoro-4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 71004494
4-bromo-2-chloro-6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,5-dihydro-3H-pyridazin-6-yl]phenol
CID 135955221
1-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazol-4-yl]-N-propylprop-2-en-1-imine
CID 145466890
4-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]morpholine
CID 71462085
4-bromo-2-chloro-6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 5188555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol?
The IUPAC name of 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol (CID 137335375) is 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol.
What is the SMILES notation for 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol?
The canonical SMILES for 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol is Cc1cc(O)c(Cl)cc1-c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol?
The InChIKey is XTFJZQQENNXQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-9-6-13(21)11(16)7-10(9)14-18-8-12(17)15(19-14)20-2-4-22-5-3-20/h6-8,21H,2-5H2,1H3.
What are the key properties of 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol?
2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol has a molecular weight of 323.75 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol is sourced from PubChem (CID 137335375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).