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

C16H15ClN2O — CID 106470623

IUPAC4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2Cc3ccccc3C2)nc2c1COCC2
InChIInChI=1S/C16H15ClN2O/c17-15-13-9-20-6-5-14(13)18-16(19-15)12-7-10-3-1-2-4-11(10)8-12/h1-4,12H,5-9H2
InChIKeyIYDQOLOTWPPUSX-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.09
Rot. Bonds1

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

4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470623) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470623
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(C2Cc3ccccc3C2)nc2c1COCC2
InChIInChI=1S/C16H15ClN2O/c17-15-13-9-20-6-5-14(13)18-16(19-15)12-7-10-3-1-2-4-11(10)8-12/h1-4,12H,5-9H2
InChIKeyIYDQOLOTWPPUSX-UHFFFAOYSA-N
XLogP3.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470680
4-chloro-2-cyclobutyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470620
4-chloro-2-cyclohexyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470514
4-chloro-2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106600629
4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470646
4-chloro-2-quinolin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470570
2-[(2-bromophenyl)methyl]-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470653
4-chloro-2-isoquinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470837
4-chloro-2-quinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470805
4-chloro-2-(2,4-dichlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470760
4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106847815
4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470623) is 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1nc(C2Cc3ccccc3C2)nc2c1COCC2.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is IYDQOLOTWPPUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-15-13-9-20-6-5-14(13)18-16(19-15)12-7-10-3-1-2-4-11(10)8-12/h1-4,12H,5-9H2.
What are the key properties of 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 286.76 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).