6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C24H23Cl2N3O3 — CID 86725868

IUPAC6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(Cc3cccc(Cl)c3Cl)nc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C24H23Cl2N3O3/c1-15(2)28-11-12-29-19(13-17-9-6-10-18(25)20(17)26)27-23(30)22(21(29)24(28)31)32-14-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyVDAADDFCENCTNE-UHFFFAOYSA-N
MW472.37 g/mol
LogP4.58
Rot. Bonds6

About 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 86725868) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID86725868
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(Cc3cccc(Cl)c3Cl)nc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C24H23Cl2N3O3/c1-15(2)28-11-12-29-19(13-17-9-6-10-18(25)20(17)26)27-23(30)22(21(29)24(28)31)32-14-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyVDAADDFCENCTNE-UHFFFAOYSA-N
XLogP4.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 86725868) is 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CC(C)N1CCn2c(Cc3cccc(Cl)c3Cl)nc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is VDAADDFCENCTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-15(2)28-11-12-29-19(13-17-9-6-10-18(25)20(17)26)27-23(30)22(21(29)24(28)31)32-14-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 472.37 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 86725868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).