1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one

C26H24BrN5O — CID 69060256

IUPAC1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
SMILESCC(Nc1nccc(N2CCCn3c2cc(-c2ccccc2)cc3=O)n1)c1cccc(Br)c1
InChIInChI=1S/C26H24BrN5O/c1-18(20-9-5-10-22(27)15-20)29-26-28-12-11-23(30-26)31-13-6-14-32-24(31)16-21(17-25(32)33)19-7-3-2-4-8-19/h2-5,7-12,15-18H,6,13-14H2,1H3,(H,28,29,30)
InChIKeyYDSNUTXEURDFDY-UHFFFAOYSA-N
MW502.42 g/mol
LogP5.78
Rot. Bonds5

About 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one

1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one (PubChem CID 69060256) has the molecular formula C26H24BrN5O and a molecular weight of 502.42 g/mol. Its IUPAC name is 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
PubChem CID69060256
Molecular FormulaC26H24BrN5O
Molecular Weight502.42 g/mol
Exact Mass501.12
IUPAC Name1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one
SMILESCC(Nc1nccc(N2CCCn3c2cc(-c2ccccc2)cc3=O)n1)c1cccc(Br)c1
InChIInChI=1S/C26H24BrN5O/c1-18(20-9-5-10-22(27)15-20)29-26-28-12-11-23(30-26)31-13-6-14-32-24(31)16-21(17-25(32)33)19-7-3-2-4-8-19/h2-5,7-12,15-18H,6,13-14H2,1H3,(H,28,29,30)
InChIKeyYDSNUTXEURDFDY-UHFFFAOYSA-N
XLogP5.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.42
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
9-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 69072590
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 130284604
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one
CID 90458172
5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285962
9-[2-(2-amino-3-ethylanilino)pyrimidin-4-yl]-2-phenyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 69062550
3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285907
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one?
The IUPAC name of 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one (CID 69060256) is 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one is CC(Nc1nccc(N2CCCn3c2cc(-c2ccccc2)cc3=O)n1)c1cccc(Br)c1.
What is the InChIKey of 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one?
The InChIKey is YDSNUTXEURDFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN5O/c1-18(20-9-5-10-22(27)15-20)29-26-28-12-11-23(30-26)31-13-6-14-32-24(31)16-21(17-25(32)33)19-7-3-2-4-8-19/h2-5,7-12,15-18H,6,13-14H2,1H3,(H,28,29,30).
What are the key properties of 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one?
1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one has a molecular weight of 502.42 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-bromophenyl)ethylamino]pyrimidin-4-yl]-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 69060256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).