2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one

C8H8F3N3O — CID 137125106

IUPAC2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
SMILESO=c1ccnc2n1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-2-4-14-6(15)1-3-12-7(14)13-5/h1,3,5H,2,4H2,(H,12,13)
InChIKeyHROVYNIEFAUWTO-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.99
Rot. Bonds

About 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one

2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 137125106) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID137125106
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
SMILESO=c1ccnc2n1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-2-4-14-6(15)1-3-12-7(14)13-5/h1,3,5H,2,4H2,(H,12,13)
InChIKeyHROVYNIEFAUWTO-UHFFFAOYSA-N
XLogP0.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one (CID 137125106) is 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one is O=c1ccnc2n1CCC(C(F)(F)F)N2.
What is the InChIKey of 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is HROVYNIEFAUWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)5-2-4-14-6(15)1-3-12-7(14)13-5/h1,3,5H,2,4H2,(H,12,13).
What are the key properties of 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 219.17 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 137125106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).