1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione

C15H21N5O5S — CID 155964699

IUPAC1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione
SMILESCc1nn(C)c(C)c1C1COCCN1S(=O)(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H21N5O5S/c1-9-13(10(2)19(4)17-9)11-8-25-6-5-20(11)26(23,24)12-7-18(3)15(22)16-14(12)21/h7,11H,5-6,8H2,1-4H3,(H,16,21,22)
InChIKeyJJTXJQNLHFAQQY-UHFFFAOYSA-N
MW383.43 g/mol
LogP-0.81
Rot. Bonds3

About 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione

1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione (PubChem CID 155964699) has the molecular formula C15H21N5O5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione
PubChem CID155964699
Molecular FormulaC15H21N5O5S
Molecular Weight383.43 g/mol
Exact Mass383.13
IUPAC Name1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione
SMILESCc1nn(C)c(C)c1C1COCCN1S(=O)(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C15H21N5O5S/c1-9-13(10(2)19(4)17-9)11-8-25-6-5-20(11)26(23,24)12-7-18(3)15(22)16-14(12)21/h7,11H,5-6,8H2,1-4H3,(H,16,21,22)
InChIKeyJJTXJQNLHFAQQY-UHFFFAOYSA-N
XLogP-0.81
TPSA119.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione (CID 155964699) is 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione is Cc1nn(C)c(C)c1C1COCCN1S(=O)(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione?
The InChIKey is JJTXJQNLHFAQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O5S/c1-9-13(10(2)19(4)17-9)11-8-25-6-5-20(11)26(23,24)12-7-18(3)15(22)16-14(12)21/h7,11H,5-6,8H2,1-4H3,(H,16,21,22).
What are the key properties of 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione?
1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione has a molecular weight of 383.43 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyrimidine-2,4-dione is sourced from PubChem (CID 155964699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).