5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one

C16H24N4O3 — CID 155910323

IUPAC5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)c3cnc(C)[nH]c3=O)CCN12
InChIInChI=1S/C16H24N4O3/c1-3-4-12-9-23-10-13-8-19(5-6-20(12)13)16(22)14-7-17-11(2)18-15(14)21/h7,12-13H,3-6,8-10H2,1-2H3,(H,17,18,21)/t12-,13+/m0/s1
InChIKeyJVULMFRNOZOFNZ-QWHCGFSZSA-N
MW320.39 g/mol
LogP0.40
Rot. Bonds3

About 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 155910323) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID155910323
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)c3cnc(C)[nH]c3=O)CCN12
InChIInChI=1S/C16H24N4O3/c1-3-4-12-9-23-10-13-8-19(5-6-20(12)13)16(22)14-7-17-11(2)18-15(14)21/h7,12-13H,3-6,8-10H2,1-2H3,(H,17,18,21)/t12-,13+/m0/s1
InChIKeyJVULMFRNOZOFNZ-QWHCGFSZSA-N
XLogP0.40
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-({4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56901759
2-cyclopropyl-5-{[2-(4-morpholinylmethyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 70717670
4-hydroxy-2-methyl-N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 72909134
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72926350
2-cyclopropyl-5-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 96368753
2-cyclopropyl-5-[(2S)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 96368755
6-methyl-3-{[rel-(4S,9aR)-4-propylhexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 134697530

Frequently Asked Questions

What is the IUPAC name of 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 155910323) is 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one is CCC[C@H]1COC[C@H]2CN(C(=O)c3cnc(C)[nH]c3=O)CCN12.
What is the InChIKey of 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JVULMFRNOZOFNZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-4-12-9-23-10-13-8-19(5-6-20(12)13)16(22)14-7-17-11(2)18-15(14)21/h7,12-13H,3-6,8-10H2,1-2H3,(H,17,18,21)/t12-,13+/m0/s1.
What are the key properties of 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 320.39 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 155910323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).