2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione

C10H7F3N2O3 — CID 123215924

IUPAC2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC1=NC(=O)C2=C(CC(F)(F)F)CC(=O)OC2=N1
InChIInChI=1S/C10H7F3N2O3/c1-4-14-8(17)7-5(3-10(11,12)13)2-6(16)18-9(7)15-4/h2-3H2,1H3
InChIKeyJBKVJLREQHFZGR-UHFFFAOYSA-N
MW260.17 g/mol
LogP1.54
Rot. Bonds1

About 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione

2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 123215924) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID123215924
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC1=NC(=O)C2=C(CC(F)(F)F)CC(=O)OC2=N1
InChIInChI=1S/C10H7F3N2O3/c1-4-14-8(17)7-5(3-10(11,12)13)2-6(16)18-9(7)15-4/h2-3H2,1H3
InChIKeyJBKVJLREQHFZGR-UHFFFAOYSA-N
XLogP1.54
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 123215924) is 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione is CC1=NC(=O)C2=C(CC(F)(F)F)CC(=O)OC2=N1.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is JBKVJLREQHFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c1-4-14-8(17)7-5(3-10(11,12)13)2-6(16)18-9(7)15-4/h2-3H2,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 260.17 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethyl)-6H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 123215924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).