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

C10H9F2N3O2 — CID 122543758

IUPAC6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCC(C)c1cn2c(F)c(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C10H9F2N3O2/c1-4(2)5-3-15-7(12)6(11)9(17)14-10(15)13-8(5)16/h3-4H,1-2H3,(H,13,14,16,17)
InChIKeyHOPUBMHOSIURQN-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.78
Rot. Bonds1

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

6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 122543758) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID122543758
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCC(C)c1cn2c(F)c(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C10H9F2N3O2/c1-4(2)5-3-15-7(12)6(11)9(17)14-10(15)13-8(5)16/h3-4H,1-2H3,(H,13,14,16,17)
InChIKeyHOPUBMHOSIURQN-UHFFFAOYSA-N
XLogP0.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.78
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-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 122543758) is 6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is CC(C)c1cn2c(F)c(F)c(=O)[nH]c2nc1=O.
What is the InChIKey of 6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is HOPUBMHOSIURQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c1-4(2)5-3-15-7(12)6(11)9(17)14-10(15)13-8(5)16/h3-4H,1-2H3,(H,13,14,16,17).
What are the key properties of 6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 241.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 122543758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).