3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C15H22N4O5S — CID 70720624

IUPAC3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c1=O
InChIInChI=1S/C15H22N4O5S/c1-17-14(21)11(6-16-15(17)22)5-13(20)19-8-10-3-4-12(19)9-18(7-10)25(2,23)24/h6,10,12H,3-5,7-9H2,1-2H3,(H,16,22)/t10-,12+/m0/s1
InChIKeyXARXXDWOXNPGIM-CMPLNLGQSA-N
MW370.43 g/mol
LogP-1.50
Rot. Bonds3

About 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70720624) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70720624
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c1=O
InChIInChI=1S/C15H22N4O5S/c1-17-14(21)11(6-16-15(17)22)5-13(20)19-8-10-3-4-12(19)9-18(7-10)25(2,23)24/h6,10,12H,3-5,7-9H2,1-2H3,(H,16,22)/t10-,12+/m0/s1
InChIKeyXARXXDWOXNPGIM-CMPLNLGQSA-N
XLogP-1.50
TPSA112.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70720624) is 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c1=O.
What is the InChIKey of 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XARXXDWOXNPGIM-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-17-14(21)11(6-16-15(17)22)5-13(20)19-8-10-3-4-12(19)9-18(7-10)25(2,23)24/h6,10,12H,3-5,7-9H2,1-2H3,(H,16,22)/t10-,12+/m0/s1.
What are the key properties of 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 370.43 g/mol, XLogP of -1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70720624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).