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

C8H5F2N3O2 — CID 122544897

IUPAC6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2c(F)c(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C8H5F2N3O2/c1-3-2-13-5(10)4(9)7(15)12-8(13)11-6(3)14/h2H,1H3,(H,11,12,14,15)
InChIKeyRWAUWNMBENPNCA-UHFFFAOYSA-N
MW213.14 g/mol
LogP-0.03
Rot. Bonds

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

6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 122544897) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID122544897
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2c(F)c(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C8H5F2N3O2/c1-3-2-13-5(10)4(9)7(15)12-8(13)11-6(3)14/h2H,1H3,(H,11,12,14,15)
InChIKeyRWAUWNMBENPNCA-UHFFFAOYSA-N
XLogP-0.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 122544897) is 6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is Cc1cn2c(F)c(F)c(=O)[nH]c2nc1=O.
What is the InChIKey of 6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is RWAUWNMBENPNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c1-3-2-13-5(10)4(9)7(15)12-8(13)11-6(3)14/h2H,1H3,(H,11,12,14,15).
What are the key properties of 6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 213.14 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 122544897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).