9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

C25H26N4O5 — CID 10298355

IUPAC9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(C(=O)C(C)N2CC(C)(C)Cn3c2nc(-c2ccncc2)cc3=O)cc2c1OCO2
InChIInChI=1S/C25H26N4O5/c1-15(22(31)17-9-19(32-4)23-20(10-17)33-14-34-23)28-12-25(2,3)13-29-21(30)11-18(27-24(28)29)16-5-7-26-8-6-16/h5-11,15H,12-14H2,1-4H3
InChIKeyZXBSMYDGJURPSL-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.16
Rot. Bonds5

About 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10298355) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID10298355
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(C(=O)C(C)N2CC(C)(C)Cn3c2nc(-c2ccncc2)cc3=O)cc2c1OCO2
InChIInChI=1S/C25H26N4O5/c1-15(22(31)17-9-19(32-4)23-20(10-17)33-14-34-23)28-12-25(2,3)13-29-21(30)11-18(27-24(28)29)16-5-7-26-8-6-16/h5-11,15H,12-14H2,1-4H3
InChIKeyZXBSMYDGJURPSL-UHFFFAOYSA-N
XLogP3.16
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (CID 10298355) is 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is COc1cc(C(=O)C(C)N2CC(C)(C)Cn3c2nc(-c2ccncc2)cc3=O)cc2c1OCO2.
What is the InChIKey of 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is ZXBSMYDGJURPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-15(22(31)17-9-19(32-4)23-20(10-17)33-14-34-23)28-12-25(2,3)13-29-21(30)11-18(27-24(28)29)16-5-7-26-8-6-16/h5-11,15H,12-14H2,1-4H3.
What are the key properties of 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 462.51 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(7-methoxy-1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10298355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).