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

C8H6FN3O2 — CID 118005260

IUPAC7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2cc(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C8H6FN3O2/c1-4-2-12-3-5(9)7(14)11-8(12)10-6(4)13/h2-3H,1H3,(H,10,11,13,14)
InChIKeyNQDJNBNHKZTPTO-UHFFFAOYSA-N
MW195.15 g/mol
LogP-0.17
Rot. Bonds

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

7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 118005260) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is 7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID118005260
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Name7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1cn2cc(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C8H6FN3O2/c1-4-2-12-3-5(9)7(14)11-8(12)10-6(4)13/h2-3H,1H3,(H,10,11,13,14)
InChIKeyNQDJNBNHKZTPTO-UHFFFAOYSA-N
XLogP-0.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 118005260) is 7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is Cc1cn2cc(F)c(=O)[nH]c2nc1=O.
What is the InChIKey of 7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is NQDJNBNHKZTPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/c1-4-2-12-3-5(9)7(14)11-8(12)10-6(4)13/h2-3H,1H3,(H,10,11,13,14).
What are the key properties of 7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 195.15 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 118005260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).