8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

C21H19Cl2N3O3 — CID 71236672

IUPAC8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCN1CCCn2c1cc(OCc1ccc(Oc3ccc(Cl)c(Cl)c3)cc1)nc2=O
InChIInChI=1S/C21H19Cl2N3O3/c1-25-9-2-10-26-20(25)12-19(24-21(26)27)28-13-14-3-5-15(6-4-14)29-16-7-8-17(22)18(23)11-16/h3-8,11-12H,2,9-10,13H2,1H3
InChIKeyCOCZEUGFFRDLLU-UHFFFAOYSA-N
MW432.31 g/mol
LogP4.76
Rot. Bonds5

About 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one

8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (PubChem CID 71236672) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
PubChem CID71236672
Molecular FormulaC21H19Cl2N3O3
Molecular Weight432.31 g/mol
Exact Mass431.08
IUPAC Name8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
SMILESCN1CCCn2c1cc(OCc1ccc(Oc3ccc(Cl)c(Cl)c3)cc1)nc2=O
InChIInChI=1S/C21H19Cl2N3O3/c1-25-9-2-10-26-20(25)12-19(24-21(26)27)28-13-14-3-5-15(6-4-14)29-16-7-8-17(22)18(23)11-16/h3-8,11-12H,2,9-10,13H2,1H3
InChIKeyCOCZEUGFFRDLLU-UHFFFAOYSA-N
XLogP4.76
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The IUPAC name of 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one (CID 71236672) is 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The canonical SMILES for 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is CN1CCCn2c1cc(OCc1ccc(Oc3ccc(Cl)c(Cl)c3)cc1)nc2=O.
What is the InChIKey of 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
The InChIKey is COCZEUGFFRDLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c1-25-9-2-10-26-20(25)12-19(24-21(26)27)28-13-14-3-5-15(6-4-14)29-16-7-8-17(22)18(23)11-16/h3-8,11-12H,2,9-10,13H2,1H3.
What are the key properties of 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one?
8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one has a molecular weight of 432.31 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 71236672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).