6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

C9H8FN3O2 — CID 122545063

IUPAC6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2c(F)c(C)c(=O)[nH]c2nc1=O
InChIInChI=1S/C9H8FN3O2/c1-4-3-13-6(10)5(2)8(15)12-9(13)11-7(4)14/h3H,1-2H3,(H,11,12,14,15)
InChIKeyWFSRFMBRCJUHFI-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.14
Rot. Bonds

About 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 122545063) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID122545063
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2c(F)c(C)c(=O)[nH]c2nc1=O
InChIInChI=1S/C9H8FN3O2/c1-4-3-13-6(10)5(2)8(15)12-9(13)11-7(4)14/h3H,1-2H3,(H,11,12,14,15)
InChIKeyWFSRFMBRCJUHFI-UHFFFAOYSA-N
XLogP0.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 122545063) is 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is Cc1cn2c(F)c(C)c(=O)[nH]c2nc1=O.
What is the InChIKey of 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is WFSRFMBRCJUHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c1-4-3-13-6(10)5(2)8(15)12-9(13)11-7(4)14/h3H,1-2H3,(H,11,12,14,15).
What are the key properties of 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 209.18 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 122545063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).