2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C17H23N5O4 — CID 50948452

IUPAC2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCN2C(=O)CN(C)C(=O)C2C1
InChIInChI=1S/C17H23N5O4/c1-10-12(11(2)19-17(26)18-10)4-5-14(23)21-6-7-22-13(8-21)16(25)20(3)9-15(22)24/h13H,4-9H2,1-3H3,(H,18,19,26)
InChIKeyVNTTZMXJKKEUMV-UHFFFAOYSA-N
MW361.40 g/mol
LogP-1.17
Rot. Bonds3

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

2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 50948452) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID50948452
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCN2C(=O)CN(C)C(=O)C2C1
InChIInChI=1S/C17H23N5O4/c1-10-12(11(2)19-17(26)18-10)4-5-14(23)21-6-7-22-13(8-21)16(25)20(3)9-15(22)24/h13H,4-9H2,1-3H3,(H,18,19,26)
InChIKeyVNTTZMXJKKEUMV-UHFFFAOYSA-N
XLogP-1.17
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 50948452) is 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCN2C(=O)CN(C)C(=O)C2C1.
What is the InChIKey of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is VNTTZMXJKKEUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-10-12(11(2)19-17(26)18-10)4-5-14(23)21-6-7-22-13(8-21)16(25)20(3)9-15(22)24/h13H,4-9H2,1-3H3,(H,18,19,26).
What are the key properties of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 361.40 g/mol, XLogP of -1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 50948452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).