2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C16H12F2N2O3 — CID 53324023

IUPAC2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(C(F)(F)c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C16H12F2N2O3/c1-2-9-8-11(21)23-14-12(9)13(22)19-15(20-14)16(17,18)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,19,20,22)
InChIKeyWMBGEHGMRAXOEY-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.58
Rot. Bonds3

About 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 53324023) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID53324023
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC Name2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(C(F)(F)c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/C16H12F2N2O3/c1-2-9-8-11(21)23-14-12(9)13(22)19-15(20-14)16(17,18)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,19,20,22)
InChIKeyWMBGEHGMRAXOEY-UHFFFAOYSA-N
XLogP2.58
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 53324023) is 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(C(F)(F)c3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is WMBGEHGMRAXOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c1-2-9-8-11(21)23-14-12(9)13(22)19-15(20-14)16(17,18)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,19,20,22).
What are the key properties of 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 318.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(phenyl)methyl]-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 53324023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).