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

C15H13ClN2O2 — CID 106470504

IUPAC4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2Cc3ccccc3O2)nc2c1COCC2
InChIInChI=1S/C15H13ClN2O2/c16-14-10-8-19-6-5-11(10)17-15(18-14)13-7-9-3-1-2-4-12(9)20-13/h1-4,13H,5-8H2
InChIKeyGKVHEIOJGXMEDJ-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.88
Rot. Bonds1

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

4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470504) 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-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470504
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2Cc3ccccc3O2)nc2c1COCC2
InChIInChI=1S/C15H13ClN2O2/c16-14-10-8-19-6-5-11(10)17-15(18-14)13-7-9-3-1-2-4-12(9)20-13/h1-4,13H,5-8H2
InChIKeyGKVHEIOJGXMEDJ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470504) is 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1nc(C2Cc3ccccc3O2)nc2c1COCC2.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is GKVHEIOJGXMEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-14-10-8-19-6-5-11(10)17-15(18-14)13-7-9-3-1-2-4-12(9)20-13/h1-4,13H,5-8H2.
What are the key properties of 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 288.73 g/mol, XLogP of 2.88, 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-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).