4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide

C10H14N4O2S — CID 132890412

IUPAC4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
SMILESO=S1(=O)CC2NCCN(c3ncccn3)C2C1
InChIInChI=1S/C10H14N4O2S/c15-17(16)6-8-9(7-17)14(5-4-11-8)10-12-2-1-3-13-10/h1-3,8-9,11H,4-7H2
InChIKeyUACPEUUVEGJJKG-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.95
Rot. Bonds1

About 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide

4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide (PubChem CID 132890412) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
PubChem CID132890412
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
SMILESO=S1(=O)CC2NCCN(c3ncccn3)C2C1
InChIInChI=1S/C10H14N4O2S/c15-17(16)6-8-9(7-17)14(5-4-11-8)10-12-2-1-3-13-10/h1-3,8-9,11H,4-7H2
InChIKeyUACPEUUVEGJJKG-UHFFFAOYSA-N
XLogP-0.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide with MolForge

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Related Compounds

4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine
CID 70718145
4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N-ethyl-N-methylpyrimidin-2-amine
CID 70740748
2-[(4aS*,7aR*)-6,6-dioxido-4-pyrimidin-2-ylhexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylacetamide
CID 70744531
N-{4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]pyrimidin-2-yl}-N,N',N'-trimethylpropane-1,3-diamine
CID 70773247
3-[4-(2-Tert-butylpyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 71983541
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-propanesulfonamide
CID 91923150
N~1~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-YL]-1-butanesulfonamide
CID 91923153
(4aR*,7aS*)-1-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70705703
2-methyl-4-[N,N-dimethylsulfamoyl-piperazino]-pyrimidine
CID 19883994
5-{[(4aS*,7aR*)-6,6-dioxido-4-pentylhexahydrothieno[3,4-b]pyrazin-1(2H)-yl]methyl}-N-ethyl-2-pyrimidinamine
CID 70779256
4-[(4aR*,7aS*)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]pyrimidin-2-amine
CID 133118261
(4aR*,7aS*)-1-[2-(2,2-dimethylmorpholin-4-yl)pyrimidin-4-yl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133125113

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
The IUPAC name of 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide (CID 132890412) is 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide.
What is the SMILES notation for 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
The canonical SMILES for 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide is O=S1(=O)CC2NCCN(c3ncccn3)C2C1.
What is the InChIKey of 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
The InChIKey is UACPEUUVEGJJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c15-17(16)6-8-9(7-17)14(5-4-11-8)10-12-2-1-3-13-10/h1-3,8-9,11H,4-7H2.
What are the key properties of 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide?
4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide has a molecular weight of 254.31 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide is sourced from PubChem (CID 132890412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).