9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C25H25N7O — CID 69062550

IUPAC9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCCc1cccc(Nc2nccc(N3CCCn4c3nc(-c3ccccc3)cc4=O)n2)c1N
InChIInChI=1S/C25H25N7O/c1-2-17-10-6-11-19(23(17)26)28-24-27-13-12-21(30-24)31-14-7-15-32-22(33)16-20(29-25(31)32)18-8-4-3-5-9-18/h3-6,8-13,16H,2,7,14-15,26H2,1H3,(H,27,28,30)
InChIKeyJUYJXCSTFHMHFW-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.13
Rot. Bonds5

About 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 69062550) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID69062550
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCCc1cccc(Nc2nccc(N3CCCn4c3nc(-c3ccccc3)cc4=O)n2)c1N
InChIInChI=1S/C25H25N7O/c1-2-17-10-6-11-19(23(17)26)28-24-27-13-12-21(30-24)31-14-7-15-32-22(33)16-20(29-25(31)32)18-8-4-3-5-9-18/h3-6,8-13,16H,2,7,14-15,26H2,1H3,(H,27,28,30)
InChIKeyJUYJXCSTFHMHFW-UHFFFAOYSA-N
XLogP4.13
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 11441690
2-(2-fluorophenyl)-9-[2-(1-phenylethylamino)pyrimidin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 69065742
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
N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901009
1-[2-(2-ethylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193987
2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine
CID 69180348
9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 10156625
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112896577
1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 11460869
ethyl 2-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112883979
1-(2-methoxyethyl)-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 53193205

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 69062550) is 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CCc1cccc(Nc2nccc(N3CCCn4c3nc(-c3ccccc3)cc4=O)n2)c1N.
What is the InChIKey of 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is JUYJXCSTFHMHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-2-17-10-6-11-19(23(17)26)28-24-27-13-12-21(30-24)31-14-7-15-32-22(33)16-20(29-25(31)32)18-8-4-3-5-9-18/h3-6,8-13,16H,2,7,14-15,26H2,1H3,(H,27,28,30).
What are the key properties of 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 439.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 69062550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).