7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane

C15H23F2N3O2 — CID 177215888

IUPAC7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane
SMILESCC.CC.Cc1nc(C(F)F)cc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H11F2N3O2.2C2H6/c1-5-8-7(4-6(14-5)9(12)13)15(2)11(18)16(3)10(8)17;2*1-2/h4,9H,1-3H3;2*1-2H3
InChIKeyRKIAFTSKIWSEDG-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.93
Rot. Bonds1

About 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane

7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane (PubChem CID 177215888) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane.

Molecular Properties

Compound Name7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane
PubChem CID177215888
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Name7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane
SMILESCC.CC.Cc1nc(C(F)F)cc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H11F2N3O2.2C2H6/c1-5-8-7(4-6(14-5)9(12)13)15(2)11(18)16(3)10(8)17;2*1-2/h4,9H,1-3H3;2*1-2H3
InChIKeyRKIAFTSKIWSEDG-UHFFFAOYSA-N
XLogP2.93
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane?
The IUPAC name of 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane (CID 177215888) is 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane.
What is the SMILES notation for 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane?
The canonical SMILES for 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane is CC.CC.Cc1nc(C(F)F)cc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane?
The InChIKey is RKIAFTSKIWSEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2.2C2H6/c1-5-8-7(4-6(14-5)9(12)13)15(2)11(18)16(3)10(8)17;2*1-2/h4,9H,1-3H3;2*1-2H3.
What are the key properties of 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane?
7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane has a molecular weight of 315.36 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-1,3,5-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;ethane is sourced from PubChem (CID 177215888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).