2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C8H7F4N3O — CID 141393583

IUPAC2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(F)nc2n1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H7F4N3O/c9-5-3-6(16)15-2-1-4(8(10,11)12)13-7(15)14-5/h3-4H,1-2H2,(H,13,14)
InChIKeyNVWZLAQQTXHIPG-UHFFFAOYSA-N
MW237.16 g/mol
LogP1.13
Rot. Bonds

About 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 141393583) has the molecular formula C8H7F4N3O and a molecular weight of 237.16 g/mol. Its IUPAC name is 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID141393583
Molecular FormulaC8H7F4N3O
Molecular Weight237.16 g/mol
Exact Mass237.05
IUPAC Name2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(F)nc2n1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H7F4N3O/c9-5-3-6(16)15-2-1-4(8(10,11)12)13-7(15)14-5/h3-4H,1-2H2,(H,13,14)
InChIKeyNVWZLAQQTXHIPG-UHFFFAOYSA-N
XLogP1.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 141393583) is 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is O=c1cc(F)nc2n1CCC(C(F)(F)F)N2.
What is the InChIKey of 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is NVWZLAQQTXHIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N3O/c9-5-3-6(16)15-2-1-4(8(10,11)12)13-7(15)14-5/h3-4H,1-2H2,(H,13,14).
What are the key properties of 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 237.16 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141393583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).