3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide

C18H22N4O4 — CID 54735184

IUPAC3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCN(C)C32CCC2)o1
InChIInChI=1S/C18H22N4O4/c1-11-4-5-12(26-11)10-19-15(24)13-14(23)16(25)22-9-8-21(2)18(6-3-7-18)17(22)20-13/h4-5,23H,3,6-10H2,1-2H3,(H,19,24)
InChIKeyWCCUSAHKVGOSOG-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.10
Rot. Bonds3

About 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide

3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide (PubChem CID 54735184) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide
PubChem CID54735184
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCN(C)C32CCC2)o1
InChIInChI=1S/C18H22N4O4/c1-11-4-5-12(26-11)10-19-15(24)13-14(23)16(25)22-9-8-21(2)18(6-3-7-18)17(22)20-13/h4-5,23H,3,6-10H2,1-2H3,(H,19,24)
InChIKeyWCCUSAHKVGOSOG-UHFFFAOYSA-N
XLogP1.10
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide?
The IUPAC name of 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide (CID 54735184) is 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide.
What is the SMILES notation for 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide?
The canonical SMILES for 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide is Cc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCN(C)C32CCC2)o1.
What is the InChIKey of 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide?
The InChIKey is WCCUSAHKVGOSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-4-5-12(26-11)10-19-15(24)13-14(23)16(25)22-9-8-21(2)18(6-3-7-18)17(22)20-13/h4-5,23H,3,6-10H2,1-2H3,(H,19,24).
What are the key properties of 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide?
3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide is sourced from PubChem (CID 54735184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).