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

C10H10FN3O2 — CID 118005247

IUPAC3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCCc1cn2c(F)c(C)c(=O)[nH]c2nc1=O
InChIInChI=1S/C10H10FN3O2/c1-3-6-4-14-7(11)5(2)8(15)12-10(14)13-9(6)16/h4H,3H2,1-2H3,(H,12,13,15,16)
InChIKeyBPMJNCNJDZIWMA-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.39
Rot. Bonds1

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

3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 118005247) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID118005247
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCCc1cn2c(F)c(C)c(=O)[nH]c2nc1=O
InChIInChI=1S/C10H10FN3O2/c1-3-6-4-14-7(11)5(2)8(15)12-10(14)13-9(6)16/h4H,3H2,1-2H3,(H,12,13,15,16)
InChIKeyBPMJNCNJDZIWMA-UHFFFAOYSA-N
XLogP0.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 118005247) is 3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is CCc1cn2c(F)c(C)c(=O)[nH]c2nc1=O.
What is the InChIKey of 3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is BPMJNCNJDZIWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-3-6-4-14-7(11)5(2)8(15)12-10(14)13-9(6)16/h4H,3H2,1-2H3,(H,12,13,15,16).
What are the key properties of 3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 223.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 118005247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).