2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C13H10Cl2N2O2 — CID 136696469

IUPAC2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2c(Cl)cccc2Cl)nc2c1COCC2
InChIInChI=1S/C13H10Cl2N2O2/c14-8-2-1-3-9(15)11(8)12-16-10-4-5-19-6-7(10)13(18)17-12/h1-3H,4-6H2,(H,16,17,18)
InChIKeyHMAZEXJTPLISNQ-UHFFFAOYSA-N
MW297.14 g/mol
LogP2.82
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696469) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696469
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2c(Cl)cccc2Cl)nc2c1COCC2
InChIInChI=1S/C13H10Cl2N2O2/c14-8-2-1-3-9(15)11(8)12-16-10-4-5-19-6-7(10)13(18)17-12/h1-3H,4-6H2,(H,16,17,18)
InChIKeyHMAZEXJTPLISNQ-UHFFFAOYSA-N
XLogP2.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696469) is 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2c(Cl)cccc2Cl)nc2c1COCC2.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is HMAZEXJTPLISNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-8-2-1-3-9(15)11(8)12-16-10-4-5-19-6-7(10)13(18)17-12/h1-3H,4-6H2,(H,16,17,18).
What are the key properties of 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 297.14 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).