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

C17H17Cl2N3O3 — CID 86725867

IUPAC6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(Cc3cccc(Cl)c3Cl)nc(=O)c(O)c2C1=O
InChIInChI=1S/C17H17Cl2N3O3/c1-9(2)21-6-7-22-12(8-10-4-3-5-11(18)13(10)19)20-16(24)15(23)14(22)17(21)25/h3-5,9,23H,6-8H2,1-2H3
InChIKeyBUHZROAJJAJSCO-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.71
Rot. Bonds3

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

6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 86725867) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID86725867
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCC(C)N1CCn2c(Cc3cccc(Cl)c3Cl)nc(=O)c(O)c2C1=O
InChIInChI=1S/C17H17Cl2N3O3/c1-9(2)21-6-7-22-12(8-10-4-3-5-11(18)13(10)19)20-16(24)15(23)14(22)17(21)25/h3-5,9,23H,6-8H2,1-2H3
InChIKeyBUHZROAJJAJSCO-UHFFFAOYSA-N
XLogP2.71
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 86725867) is 6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-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-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CC(C)N1CCn2c(Cc3cccc(Cl)c3Cl)nc(=O)c(O)c2C1=O.
What is the InChIKey of 6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is BUHZROAJJAJSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-9(2)21-6-7-22-12(8-10-4-3-5-11(18)13(10)19)20-16(24)15(23)14(22)17(21)25/h3-5,9,23H,6-8H2,1-2H3.
What are the key properties of 6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 382.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dichlorophenyl)methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 86725867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).