4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H13ClN2O2 — CID 65350836

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(C2COc3ccccc3O2)nc2c1CCC2
InChIInChI=1S/C15H13ClN2O2/c16-14-9-4-3-5-10(9)17-15(18-14)13-8-19-11-6-1-2-7-12(11)20-13/h1-2,6-7,13H,3-5,8H2
InChIKeyHAGNTIWHFBPONL-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.13
Rot. Bonds1

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 65350836) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID65350836
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(C2COc3ccccc3O2)nc2c1CCC2
InChIInChI=1S/C15H13ClN2O2/c16-14-9-4-3-5-10(9)17-15(18-14)13-8-19-11-6-1-2-7-12(11)20-13/h1-2,6-7,13H,3-5,8H2
InChIKeyHAGNTIWHFBPONL-UHFFFAOYSA-N
XLogP3.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

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Related Compounds

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-(2,3-dihydro-1-benzofuran-2-yl)-5-fluoro-6-methylpyrimidine
CID 81958264
4-Chloro-6-methyl-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrimidine
CID 116278480
4-Chloro-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-fluoropyrimidine
CID 168018307
4-chloro-2-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 21882637
4-Chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
4-Chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
[2-[(4-chlorophenoxy)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]methanamine
CID 28904153
4-Chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
CID 43557667
4-Chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine
CID 43557725
4-Chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 65350836) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1nc(C2COc3ccccc3O2)nc2c1CCC2.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is HAGNTIWHFBPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-14-9-4-3-5-10(9)17-15(18-14)13-8-19-11-6-1-2-7-12(11)20-13/h1-2,6-7,13H,3-5,8H2.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 288.73 g/mol, XLogP of 3.13, 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)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 65350836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).