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

C19H19N5O2 — CID 163274086

IUPAC5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H19N5O2/c1-12-17(24-8-7-14(11-24)13-5-3-2-4-6-13)9-16(23-22-12)15-10-20-19(26)21-18(15)25/h2-6,9-10,14H,7-8,11H2,1H3,(H2,20,21,25,26)
InChIKeyFMJUEIXPJOFICG-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.82
Rot. Bonds3

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

5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163274086) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID163274086
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C19H19N5O2/c1-12-17(24-8-7-14(11-24)13-5-3-2-4-6-13)9-16(23-22-12)15-10-20-19(26)21-18(15)25/h2-6,9-10,14H,7-8,11H2,1H3,(H2,20,21,25,26)
InChIKeyFMJUEIXPJOFICG-UHFFFAOYSA-N
XLogP1.82
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 163274086) is 5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(c2ccccc2)C1.
What is the InChIKey of 5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is FMJUEIXPJOFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-17(24-8-7-14(11-24)13-5-3-2-4-6-13)9-16(23-22-12)15-10-20-19(26)21-18(15)25/h2-6,9-10,14H,7-8,11H2,1H3,(H2,20,21,25,26).
What are the key properties of 5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-5-(3-phenylpyrrolidin-1-yl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163274086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).