2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione

C12H15N5O2 — CID 133404031

IUPAC2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
SMILESCc1cnc(N2CCN3C(=O)C(=O)NCC3C2)nc1
InChIInChI=1S/C12H15N5O2/c1-8-4-14-12(15-5-8)16-2-3-17-9(7-16)6-13-10(18)11(17)19/h4-5,9H,2-3,6-7H2,1H3,(H,13,18)
InChIKeyVADHZFUZELSCSA-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.07
Rot. Bonds1

About 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione

2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione (PubChem CID 133404031) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
PubChem CID133404031
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
SMILESCc1cnc(N2CCN3C(=O)C(=O)NCC3C2)nc1
InChIInChI=1S/C12H15N5O2/c1-8-4-14-12(15-5-8)16-2-3-17-9(7-16)6-13-10(18)11(17)19/h4-5,9H,2-3,6-7H2,1H3,(H,13,18)
InChIKeyVADHZFUZELSCSA-UHFFFAOYSA-N
XLogP-1.07
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione (CID 133404031) is 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione is Cc1cnc(N2CCN3C(=O)C(=O)NCC3C2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
The InChIKey is VADHZFUZELSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-4-14-12(15-5-8)16-2-3-17-9(7-16)6-13-10(18)11(17)19/h4-5,9H,2-3,6-7H2,1H3,(H,13,18).
What are the key properties of 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione has a molecular weight of 261.28 g/mol, XLogP of -1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione is sourced from PubChem (CID 133404031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).