4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine

C15H15ClN2O2 — CID 65350725

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C15H15ClN2O2/c1-9(2)10-7-14(16)18-15(17-10)13-8-19-11-5-3-4-6-12(11)20-13/h3-7,9,13H,8H2,1-2H3
InChIKeyFTWXWEUOBFCIFG-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.77
Rot. Bonds2

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine (PubChem CID 65350725) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine
PubChem CID65350725
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C15H15ClN2O2/c1-9(2)10-7-14(16)18-15(17-10)13-8-19-11-5-3-4-6-12(11)20-13/h3-7,9,13H,8H2,1-2H3
InChIKeyFTWXWEUOBFCIFG-UHFFFAOYSA-N
XLogP3.77
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 65352023
5-(1-chloroethyl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazole
CID 65353525
2-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
CID 79077687
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595
4-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,5-triazin-2-amine
CID 65356241
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 65351695
(1R)-1-[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915342
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 65351585
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-1H-1,2,4-triazole
CID 61277728
3-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 102390074
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)pyrimidin-4-yl]methanol
CID 65351888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine (CID 65350725) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(C2COc3ccccc3O2)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine?
The InChIKey is FTWXWEUOBFCIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9(2)10-7-14(16)18-15(17-10)13-8-19-11-5-3-4-6-12(11)20-13/h3-7,9,13H,8H2,1-2H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propan-2-ylpyrimidine has a molecular weight of 290.75 g/mol, XLogP of 3.77, 2 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)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 65350725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).