4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C11H9ClN4O — CID 106470646

IUPAC4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(-c2ncccn2)nc2c1COCC2
InChIInChI=1S/C11H9ClN4O/c12-9-7-6-17-5-2-8(7)15-11(16-9)10-13-3-1-4-14-10/h1,3-4H,2,5-6H2
InChIKeyHDFWTOWRNUMKPL-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.66
Rot. Bonds1

About 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470646) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470646
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(-c2ncccn2)nc2c1COCC2
InChIInChI=1S/C11H9ClN4O/c12-9-7-6-17-5-2-8(7)15-11(16-9)10-13-3-1-4-14-10/h1,3-4H,2,5-6H2
InChIKeyHDFWTOWRNUMKPL-UHFFFAOYSA-N
XLogP1.66
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470826
4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470587
4-chloro-2-quinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470805
4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline
CID 61382244
4-chloro-2-quinolin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470570
4-chloro-2-(2,4-dichlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470760
4-chloro-2-isoquinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470837
4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470799
4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470756
4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83191020
4-chloro-2-(2,3-dihydro-1H-inden-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470623
4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106847815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470646) is 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1nc(-c2ncccn2)nc2c1COCC2.
What is the InChIKey of 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is HDFWTOWRNUMKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-9-7-6-17-5-2-8(7)15-11(16-9)10-13-3-1-4-14-10/h1,3-4H,2,5-6H2.
What are the key properties of 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 248.67 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).