difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione

C16H14F3N3O2 — CID 54169279

IUPACdifluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1ccc(-n2c(=O)cc(F)n3ccc(=O)nc23)cc1C.FCF
InChIInChI=1S/C15H12FN3O2.CH2F2/c1-9-3-4-11(7-10(9)2)19-14(21)8-12(16)18-6-5-13(20)17-15(18)19;2-1-3/h3-8H,1-2H3;1H2
InChIKeyOTWGDJRDBMMSMQ-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.48
Rot. Bonds1

About difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione

difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 54169279) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Namedifluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID54169279
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Namedifluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1ccc(-n2c(=O)cc(F)n3ccc(=O)nc23)cc1C.FCF
InChIInChI=1S/C15H12FN3O2.CH2F2/c1-9-3-4-11(7-10(9)2)19-14(21)8-12(16)18-6-5-13(20)17-15(18)19;2-1-3/h3-8H,1-2H3;1H2
InChIKeyOTWGDJRDBMMSMQ-UHFFFAOYSA-N
XLogP2.48
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione (CID 54169279) is difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione is Cc1ccc(-n2c(=O)cc(F)n3ccc(=O)nc23)cc1C.FCF.
What is the InChIKey of difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is OTWGDJRDBMMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2.CH2F2/c1-9-3-4-11(7-10(9)2)19-14(21)8-12(16)18-6-5-13(20)17-15(18)19;2-1-3/h3-8H,1-2H3;1H2.
What are the key properties of difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione?
difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 337.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;1-(3,4-dimethylphenyl)-4-fluoropyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 54169279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).