4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine

C13H10ClFN2O2 — CID 66000432

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine
SMILESCc1nc(C2COc3ccccc3O2)nc(Cl)c1F
InChIInChI=1S/C13H10ClFN2O2/c1-7-11(15)12(14)17-13(16-7)10-6-18-8-4-2-3-5-9(8)19-10/h2-5,10H,6H2,1H3
InChIKeyUDXVKJRHXWOVFR-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.09
Rot. Bonds1

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine (PubChem CID 66000432) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine
PubChem CID66000432
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine
SMILESCc1nc(C2COc3ccccc3O2)nc(Cl)c1F
InChIInChI=1S/C13H10ClFN2O2/c1-7-11(15)12(14)17-13(16-7)10-6-18-8-4-2-3-5-9(8)19-10/h2-5,10H,6H2,1H3
InChIKeyUDXVKJRHXWOVFR-UHFFFAOYSA-N
XLogP3.09
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-Dichlorophenoxy)-4-methoxy-2,6-dimethylpyrimidine
CID 2745080
Pyrimidine, 4-amino-2-((m-chlorophenoxy)methyl)-6-methyl-, hydrochloride
CID 3051323
Pyrimidine, 4-amino-2-((o-methoxyphenoxy)methyl)-6-methyl-, hydrochloride
CID 3051324
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,6-trimethylpyrimidin-4-amine
CID 45872154
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 56811782
4,6-Dichloro-5-(4-fluoro-2-methoxyphenoxy)-2-methylpyrimidine
CID 19095794
2-chloro-4-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 156541380
2-Chloro-4-[3-(2-ethoxyphenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 156541381
4-Chloro-6-methyl-2-(phenoxymethyl)pyrimidine
CID 15561341
2-[(3-Chlorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 911402
4-Methoxy-6-methyl-5-phenoxy-2-(trifluoromethyl)pyrimidine
CID 2745832
2-[(2-Methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine (CID 66000432) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine is Cc1nc(C2COc3ccccc3O2)nc(Cl)c1F.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine?
The InChIKey is UDXVKJRHXWOVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-7-11(15)12(14)17-13(16-7)10-6-18-8-4-2-3-5-9(8)19-10/h2-5,10H,6H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine has a molecular weight of 280.69 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 66000432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).