8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C16H23N5O3 — CID 50959516

IUPAC8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCC(C)c1ncc(C(=O)N2CCN3CCN(C)C(=O)C3C2)c(=O)[nH]1
InChIInChI=1S/C16H23N5O3/c1-10(2)13-17-8-11(14(22)18-13)15(23)21-7-6-20-5-4-19(3)16(24)12(20)9-21/h8,10,12H,4-7,9H2,1-3H3,(H,17,18,22)
InChIKeyVEPGXYSXXOIFHV-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.51
Rot. Bonds2

About 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 50959516) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID50959516
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCC(C)c1ncc(C(=O)N2CCN3CCN(C)C(=O)C3C2)c(=O)[nH]1
InChIInChI=1S/C16H23N5O3/c1-10(2)13-17-8-11(14(22)18-13)15(23)21-7-6-20-5-4-19(3)16(24)12(20)9-21/h8,10,12H,4-7,9H2,1-3H3,(H,17,18,22)
InChIKeyVEPGXYSXXOIFHV-UHFFFAOYSA-N
XLogP-0.51
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]-2-isopropylpyrimidin-4(3H)-one
CID 56742402
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
(9aS)-8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95125183
(9aR)-8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95125184
2-propan-2-yl-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724112
2-propan-2-yl-5-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724113
2-cyclopropyl-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872291
2-cyclopropyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872292
2-cyclobutyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyrimidin-6-one
CID 167919806

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 50959516) is 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CC(C)c1ncc(C(=O)N2CCN3CCN(C)C(=O)C3C2)c(=O)[nH]1.
What is the InChIKey of 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is VEPGXYSXXOIFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10(2)13-17-8-11(14(22)18-13)15(23)21-7-6-20-5-4-19(3)16(24)12(20)9-21/h8,10,12H,4-7,9H2,1-3H3,(H,17,18,22).
What are the key properties of 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 333.39 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50959516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).