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

C25H23FN6O — CID 69065742

IUPAC2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(Nc1nccc(N2CCCn3c2nc(-c2ccccc2F)cc3=O)n1)c1ccccc1
InChIInChI=1S/C25H23FN6O/c1-17(18-8-3-2-4-9-18)28-24-27-13-12-22(30-24)31-14-7-15-32-23(33)16-21(29-25(31)32)19-10-5-6-11-20(19)26/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,27,28,30)
InChIKeySZIKMYINABMBNN-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.55
Rot. Bonds5

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

2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 69065742) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID69065742
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(Nc1nccc(N2CCCn3c2nc(-c2ccccc2F)cc3=O)n1)c1ccccc1
InChIInChI=1S/C25H23FN6O/c1-17(18-8-3-2-4-9-18)28-24-27-13-12-22(30-24)31-14-7-15-32-23(33)16-21(29-25(31)32)19-10-5-6-11-20(19)26/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,27,28,30)
InChIKeySZIKMYINABMBNN-UHFFFAOYSA-N
XLogP4.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 69072590
1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
CID 69060256
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 69062550
5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one
CID 90458172
1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 130284604
9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 11441690
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 69065742) is 2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC(Nc1nccc(N2CCCn3c2nc(-c2ccccc2F)cc3=O)n1)c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is SZIKMYINABMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-17(18-8-3-2-4-9-18)28-24-27-13-12-22(30-24)31-14-7-15-32-23(33)16-21(29-25(31)32)19-10-5-6-11-20(19)26/h2-6,8-13,16-17H,7,14-15H2,1H3,(H,27,28,30).
What are the key properties of 2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 442.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 69065742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).