9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C26H23F3N6O — CID 69072590

IUPAC9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(Nc1nccc(N2CCCn3c2nc(-c2ccccc2C(F)(F)F)cc3=O)n1)c1ccccc1
InChIInChI=1S/C26H23F3N6O/c1-17(18-8-3-2-4-9-18)31-24-30-13-12-22(33-24)34-14-7-15-35-23(36)16-21(32-25(34)35)19-10-5-6-11-20(19)26(27,28)29/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,30,31,33)
InChIKeyWMFUKZMMZGKIKZ-UHFFFAOYSA-N
MW492.51 g/mol
LogP5.43
Rot. Bonds5

About 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 69072590) has the molecular formula C26H23F3N6O and a molecular weight of 492.51 g/mol. Its IUPAC name is 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID69072590
Molecular FormulaC26H23F3N6O
Molecular Weight492.51 g/mol
Exact Mass492.19
IUPAC Name9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(Nc1nccc(N2CCCn3c2nc(-c2ccccc2C(F)(F)F)cc3=O)n1)c1ccccc1
InChIInChI=1S/C26H23F3N6O/c1-17(18-8-3-2-4-9-18)31-24-30-13-12-22(33-24)34-14-7-15-35-23(36)16-21(32-25(34)35)19-10-5-6-11-20(19)26(27,28)29/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,30,31,33)
InChIKeyWMFUKZMMZGKIKZ-UHFFFAOYSA-N
XLogP5.43
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 69065742
1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
CID 69060256
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285255
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285907
9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 69062550
1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 130284604
5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one
CID 90458172
N-[(1S)-1-phenylethyl]-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 11682427

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 69072590) is 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC(Nc1nccc(N2CCCn3c2nc(-c2ccccc2C(F)(F)F)cc3=O)n1)c1ccccc1.
What is the InChIKey of 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is WMFUKZMMZGKIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O/c1-17(18-8-3-2-4-9-18)31-24-30-13-12-22(33-24)34-14-7-15-35-23(36)16-21(32-25(34)35)19-10-5-6-11-20(19)26(27,28)29/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,30,31,33).
What are the key properties of 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 492.51 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 69072590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).