2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione

C14H9Cl2N3O3 — CID 54685057

IUPAC2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=c1ncn2ccn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C14H9Cl2N3O3/c15-9-2-1-8(5-10(9)16)6-18-3-4-19-7-17-13(21)12(20)11(19)14(18)22/h1-5,7,20H,6H2
InChIKeyMPFBWLLNGGQYGM-UHFFFAOYSA-N
MW338.15 g/mol
LogP1.92
Rot. Bonds2

About 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione

2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 54685057) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID54685057
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione
SMILESO=c1ncn2ccn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O
InChIInChI=1S/C14H9Cl2N3O3/c15-9-2-1-8(5-10(9)16)6-18-3-4-19-7-17-13(21)12(20)11(19)14(18)22/h1-5,7,20H,6H2
InChIKeyMPFBWLLNGGQYGM-UHFFFAOYSA-N
XLogP1.92
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione (CID 54685057) is 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione is O=c1ncn2ccn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is MPFBWLLNGGQYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c15-9-2-1-8(5-10(9)16)6-18-3-4-19-7-17-13(21)12(20)11(19)14(18)22/h1-5,7,20H,6H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione?
2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 338.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 54685057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).