methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate

C16H17N3O4 — CID 95738715

IUPACmethyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate
SMILESCOC(=O)C1=C2C(=O)N[C@@H](C)CN2C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C16H17N3O4/c1-9-8-19-13(14(20)17-9)11(15(21)23-2)12(18-16(19)22)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,17,20)(H,18,22)/t9-,12+/m0/s1
InChIKeyRWSCTWGDAJEWOA-JOYOIKCWSA-N
MW315.33 g/mol
LogP0.70
Rot. Bonds2

About methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate

methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate (PubChem CID 95738715) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate.

Molecular Properties

Compound Namemethyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate
PubChem CID95738715
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Namemethyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate
SMILESCOC(=O)C1=C2C(=O)N[C@@H](C)CN2C(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C16H17N3O4/c1-9-8-19-13(14(20)17-9)11(15(21)23-2)12(18-16(19)22)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,17,20)(H,18,22)/t9-,12+/m0/s1
InChIKeyRWSCTWGDAJEWOA-JOYOIKCWSA-N
XLogP0.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate with MolForge

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Related Compounds

dimethyl (2R,5R)-2,5-diphenyl-2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
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CID 18171059
methyl (6S)-3-cyclopropyl-4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 51683439
methyl 6-(anilinomethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110273786
methyl (6R)-3-cyclopropyl-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidine-5-carboxylate
CID 8651102
methyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2728918
methyl (6R)-4-methyl-3-(4-methylsulfonylphenyl)-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 39822640
methyl 3-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 42914688
methyl 3-cyclopropyl-2-oxo-6-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)-1,6-dihydropyrimidine-5-carboxylate
CID 24665446
methyl 3-(3-bromophenyl)-1,5-dioxo-3,6-dihydro-2H-pyrimido[1,6-a]quinoxaline-4-carboxylate
CID 47078620
methyl (6S,9S)-9-methyl-4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 41455820
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Frequently Asked Questions

What is the IUPAC name of methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate?
The IUPAC name of methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate (CID 95738715) is methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate.
What is the SMILES notation for methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate?
The canonical SMILES for methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate is COC(=O)C1=C2C(=O)N[C@@H](C)CN2C(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate?
The InChIKey is RWSCTWGDAJEWOA-JOYOIKCWSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-9-8-19-13(14(20)17-9)11(15(21)23-2)12(18-16(19)22)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,17,20)(H,18,22)/t9-,12+/m0/s1.
What are the key properties of methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate?
methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate is sourced from PubChem (CID 95738715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).