9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione

C14H17F3N4O3 — CID 156868167

IUPAC9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCN1CCCC1c1nc(=O)c(O)c2n1CCN(CC(F)(F)F)C2=O
InChIInChI=1S/C14H17F3N4O3/c1-19-4-2-3-8(19)11-18-12(23)10(22)9-13(24)20(5-6-21(9)11)7-14(15,16)17/h8,22H,2-7H2,1H3
InChIKeyCDKOYZIQYMTHDL-UHFFFAOYSA-N
MW346.31 g/mol
LogP0.73
Rot. Bonds2

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

9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (PubChem CID 156868167) has the molecular formula C14H17F3N4O3 and a molecular weight of 346.31 g/mol. Its IUPAC name is 9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.

Molecular Properties

Compound Name9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
PubChem CID156868167
Molecular FormulaC14H17F3N4O3
Molecular Weight346.31 g/mol
Exact Mass346.13
IUPAC Name9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
SMILESCN1CCCC1c1nc(=O)c(O)c2n1CCN(CC(F)(F)F)C2=O
InChIInChI=1S/C14H17F3N4O3/c1-19-4-2-3-8(19)11-18-12(23)10(22)9-13(24)20(5-6-21(9)11)7-14(15,16)17/h8,22H,2-7H2,1H3
InChIKeyCDKOYZIQYMTHDL-UHFFFAOYSA-N
XLogP0.73
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The IUPAC name of 9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione (CID 156868167) is 9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione.
What is the SMILES notation for 9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The canonical SMILES for 9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is CN1CCCC1c1nc(=O)c(O)c2n1CCN(CC(F)(F)F)C2=O.
What is the InChIKey of 9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
The InChIKey is CDKOYZIQYMTHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3/c1-19-4-2-3-8(19)11-18-12(23)10(22)9-13(24)20(5-6-21(9)11)7-14(15,16)17/h8,22H,2-7H2,1H3.
What are the key properties of 9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione?
9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione has a molecular weight of 346.31 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-6-(1-methylpyrrolidin-2-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione is sourced from PubChem (CID 156868167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).