(9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C14H19N5O2 — CID 97200642

IUPAC(9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCc1cnc(N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)nc1
InChIInChI=1S/C14H19N5O2/c1-3-10-6-15-14(16-7-10)18-4-5-19-11(8-18)13(21)17(2)9-12(19)20/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyYSUIPQISHSHXHN-LLVKDONJSA-N
MW289.34 g/mol
LogP-0.47
Rot. Bonds2

About (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

(9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 97200642) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID97200642
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCc1cnc(N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)nc1
InChIInChI=1S/C14H19N5O2/c1-3-10-6-15-14(16-7-10)18-4-5-19-11(8-18)13(21)17(2)9-12(19)20/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeyYSUIPQISHSHXHN-LLVKDONJSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 97200642) is (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CCc1cnc(N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)nc1.
What is the InChIKey of (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is YSUIPQISHSHXHN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-10-6-15-14(16-7-10)18-4-5-19-11(8-18)13(21)17(2)9-12(19)20/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
(9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 289.34 g/mol, XLogP of -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-(5-ethylpyrimidin-2-yl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 97200642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).