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

C24H23N7O — CID 11441690

IUPAC9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCCN(c1ccccc1)c1nccc(N2CCCn3c2nc(-c2ccncc2)cc3=O)n1
InChIInChI=1S/C24H23N7O/c1-2-29(19-7-4-3-5-8-19)23-26-14-11-21(28-23)30-15-6-16-31-22(32)17-20(27-24(30)31)18-9-12-25-13-10-18/h3-5,7-14,17H,2,6,15-16H2,1H3
InChIKeyGSIIAGAXENBDML-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.80
Rot. Bonds5

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

9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 11441690) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID11441690
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCCN(c1ccccc1)c1nccc(N2CCCn3c2nc(-c2ccncc2)cc3=O)n1
InChIInChI=1S/C24H23N7O/c1-2-29(19-7-4-3-5-8-19)23-26-14-11-21(28-23)30-15-6-16-31-22(32)17-20(27-24(30)31)18-9-12-25-13-10-18/h3-5,7-14,17H,2,6,15-16H2,1H3
InChIKeyGSIIAGAXENBDML-UHFFFAOYSA-N
XLogP3.80
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 11441690) is 9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CCN(c1ccccc1)c1nccc(N2CCCn3c2nc(-c2ccncc2)cc3=O)n1.
What is the InChIKey of 9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is GSIIAGAXENBDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-2-29(19-7-4-3-5-8-19)23-26-14-11-21(28-23)30-15-6-16-31-22(32)17-20(27-24(30)31)18-9-12-25-13-10-18/h3-5,7-14,17H,2,6,15-16H2,1H3.
What are the key properties of 9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 425.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11441690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).