5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C14H17N5O4S — CID 163274115

IUPAC5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CC[C@@H](S(C)(=O)=O)C1
InChIInChI=1S/C14H17N5O4S/c1-8-12(19-4-3-9(7-19)24(2,22)23)5-11(18-17-8)10-6-15-14(21)16-13(10)20/h5-6,9H,3-4,7H2,1-2H3,(H2,15,16,20,21)/t9-/m1/s1
InChIKeySQMVIQOZBUFZAR-SECBINFHSA-N
MW351.39 g/mol
LogP-0.55
Rot. Bonds3

About 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163274115) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID163274115
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CC[C@@H](S(C)(=O)=O)C1
InChIInChI=1S/C14H17N5O4S/c1-8-12(19-4-3-9(7-19)24(2,22)23)5-11(18-17-8)10-6-15-14(21)16-13(10)20/h5-6,9H,3-4,7H2,1-2H3,(H2,15,16,20,21)/t9-/m1/s1
InChIKeySQMVIQOZBUFZAR-SECBINFHSA-N
XLogP-0.55
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[5-(3-cyclopropylpyrrolidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274202
5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274132
5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128795
5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274136
5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128800
fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione
CID 163274221
5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163394472
5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128886
5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione
CID 170786560
5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 169288691
ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen
CID 153338377
5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 166999421

Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 163274115) is 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CC[C@@H](S(C)(=O)=O)C1.
What is the InChIKey of 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is SQMVIQOZBUFZAR-SECBINFHSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-8-12(19-4-3-9(7-19)24(2,22)23)5-11(18-17-8)10-6-15-14(21)16-13(10)20/h5-6,9H,3-4,7H2,1-2H3,(H2,15,16,20,21)/t9-/m1/s1.
What are the key properties of 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 351.39 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163274115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).