(8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C12H16N4O4 — CID 164635937

IUPAC(8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCOc1cc(OC)nc(N2CCN3C(=O)OC[C@H]3C2)n1
InChIInChI=1S/C12H16N4O4/c1-18-9-5-10(19-2)14-11(13-9)15-3-4-16-8(6-15)7-20-12(16)17/h5,8H,3-4,6-7H2,1-2H3/t8-/m1/s1
InChIKeyFPQWYXHLHVIYAX-MRVPVSSYSA-N
MW280.28 g/mol
LogP0.13
Rot. Bonds3

About (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

(8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 164635937) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID164635937
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name(8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCOc1cc(OC)nc(N2CCN3C(=O)OC[C@H]3C2)n1
InChIInChI=1S/C12H16N4O4/c1-18-9-5-10(19-2)14-11(13-9)15-3-4-16-8(6-15)7-20-12(16)17/h5,8H,3-4,6-7H2,1-2H3/t8-/m1/s1
InChIKeyFPQWYXHLHVIYAX-MRVPVSSYSA-N
XLogP0.13
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
4-amino-2-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)pyrimidine-5-carbonitrile
CID 131909287
7-(5-chloro-2-methylpyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 137340601
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
CID 115355746
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]ethanamine
CID 115355411
2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 172880777
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 113293006
(8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 130438371
(8aS)-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131632865
7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 167062536

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 164635937) is (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is COc1cc(OC)nc(N2CCN3C(=O)OC[C@H]3C2)n1.
What is the InChIKey of (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is FPQWYXHLHVIYAX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-18-9-5-10(19-2)14-11(13-9)15-3-4-16-8(6-15)7-20-12(16)17/h5,8H,3-4,6-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
(8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 280.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(4,6-dimethoxypyrimidin-2-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 164635937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).