4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C15H13ClN2O3 — CID 106470714

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2COc3ccccc3O2)nc2c1COCC2
InChIInChI=1S/C15H13ClN2O3/c16-14-9-7-19-6-5-10(9)17-15(18-14)13-8-20-11-3-1-2-4-12(11)21-13/h1-4,13H,5-8H2
InChIKeyZBWBBTHLEVFYPG-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.72
Rot. Bonds1

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470714) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470714
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2COc3ccccc3O2)nc2c1COCC2
InChIInChI=1S/C15H13ClN2O3/c16-14-9-7-19-6-5-10(9)17-15(18-14)13-8-20-11-3-1-2-4-12(11)21-13/h1-4,13H,5-8H2
InChIKeyZBWBBTHLEVFYPG-UHFFFAOYSA-N
XLogP2.72
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine with MolForge

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Related Compounds

4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5-fluoro-6-methylpyrimidine
CID 65997643
2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65997778
4-Chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidine
CID 66000432
4-Chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-6-methylpyrimidine
CID 66000637
4-Chloro-2-(4-(trifluoromethoxy)phenyl)-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine
CID 73425114
4,6-Dichloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoropyrimidine
CID 80550351
4-chloro-2-(3-fluoro-4-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470766
4-chloro-2-[2-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470800
4-chloro-2-[4-(difluoromethoxy)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470840
4-Chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)pyrimidine
CID 106768835
4-chloro-2-(4-fluoro-3-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 107922665
4-Chloro-6-methyl-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrimidine
CID 116278480

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470714) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1nc(C2COc3ccccc3O2)nc2c1COCC2.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is ZBWBBTHLEVFYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-14-9-7-19-6-5-10(9)17-15(18-14)13-8-20-11-3-1-2-4-12(11)21-13/h1-4,13H,5-8H2.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 304.73 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).