1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione

C12H21N3O2 — CID 22086768

IUPAC1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
SMILESCC1C(=O)N2C(C)C(=O)N(C)CC2N(C)C1C
InChIInChI=1S/C12H21N3O2/c1-7-8(2)14(5)10-6-13(4)12(17)9(3)15(10)11(7)16/h7-10H,6H2,1-5H3
InChIKeyOXFNLANEWLGLPA-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.03
Rot. Bonds

About 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione

1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione (PubChem CID 22086768) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione.

Molecular Properties

Compound Name1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
PubChem CID22086768
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
SMILESCC1C(=O)N2C(C)C(=O)N(C)CC2N(C)C1C
InChIInChI=1S/C12H21N3O2/c1-7-8(2)14(5)10-6-13(4)12(17)9(3)15(10)11(7)16/h7-10H,6H2,1-5H3
InChIKeyOXFNLANEWLGLPA-UHFFFAOYSA-N
XLogP-0.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione with MolForge

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Related Compounds

6-(Fluoromethyl)-8-(2-methylbutyl)-1,2,3,6,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione
CID 163281639
1-(fluoromethyl)-8-(2-methylbutyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 175934305
(9aR)-2-methyl-8-(3-methylbutyl)tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 56859202
(7S,9aR)-2-(cyclopropylmethyl)-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56859582
(9aR)-8-isobutyl-2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 56860059
(9aR)-8-(cyclopropylmethyl)-2-methyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 56860502
(7S,9aR)-7,8-dimethyl-2-(3-methylbutyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 126461741
4H-Pyrido[1,2-A]pyrimidin-4-one, 3-ethyloctahydro-1,2,6-trimethyl-
CID 20568868
CID 20577103
CID 20577103
CID 59938157
CID 59938157
9a-Propan-2-yl-1,2,3,6,8,9-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione
CID 69716681
(9aR)-8-butyl-3,9,9a-trimethyl-1-propyl-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrimidin-2-one
CID 117674758

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?
The IUPAC name of 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione (CID 22086768) is 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione.
What is the SMILES notation for 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?
The canonical SMILES for 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione is CC1C(=O)N2C(C)C(=O)N(C)CC2N(C)C1C.
What is the InChIKey of 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?
The InChIKey is OXFNLANEWLGLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7-8(2)14(5)10-6-13(4)12(17)9(3)15(10)11(7)16/h7-10H,6H2,1-5H3.
What are the key properties of 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?
1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione has a molecular weight of 239.32 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,8-pentamethyl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione is sourced from PubChem (CID 22086768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).