2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one

C12H15N3O — CID 20583166

IUPAC2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C)nc(C)c(C)n2c(=O)c1C
InChIInChI=1S/C12H15N3O/c1-6-7(2)14-11-9(4)13-8(3)10(5)15(11)12(6)16/h1-5H3
InChIKeyMNNFAMWVUMXWRV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.63
Rot. Bonds

About 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one

2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one (PubChem CID 20583166) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one
PubChem CID20583166
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(C)nc(C)c(C)n2c(=O)c1C
InChIInChI=1S/C12H15N3O/c1-6-7(2)14-11-9(4)13-8(3)10(5)15(11)12(6)16/h1-5H3
InChIKeyMNNFAMWVUMXWRV-UHFFFAOYSA-N
XLogP1.63
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
2,3,4,7,8-Pentamethylpyrimido[1,2-a]pyrimidin-6-one
CID 20583105
3-Ethyl-2,5,6-trimethylpyrimidin-4-one
CID 22091870
1,2,5,6-Tetramethylpyrimidin-4-one
CID 58821037
3,6,9-Trimethylpyrazino[1,2-a]pyrimidin-4-one
CID 117803811
2-Ethyl-5,6-dimethylpyrimidin-4-ol
CID 135740331
2-Ethyl-5,6-dimethyl-3-propylpyrimidin-4-one
CID 141792048
2,3-Diethyl-5,6-dimethylpyrimidin-4-one;ethane
CID 141792053
Ethane;2,3,5,6-tetramethylpyrimidin-4-one
CID 143247986
2,5,6-Trimethyl-3-sulfanylpyrimidin-4-one
CID 163438151
2-Ethyl-3,5,6-trimethylpyrimidin-4-one
CID 14220521
2,3-Diethyl-5,6-dimethylpyrimidin-4-one
CID 141792054

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one (CID 20583166) is 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one is Cc1nc2c(C)nc(C)c(C)n2c(=O)c1C.
What is the InChIKey of 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is MNNFAMWVUMXWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-6-7(2)14-11-9(4)13-8(3)10(5)15(11)12(6)16/h1-5H3.
What are the key properties of 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one?
2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,9-pentamethylpyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 20583166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).