5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C19H18FN5O2 — CID 163274163

IUPAC5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN5O2/c1-11-17(8-16(24-23-11)15-9-21-19(27)22-18(15)26)25-7-6-13(10-25)12-2-4-14(20)5-3-12/h2-5,8-9,13H,6-7,10H2,1H3,(H2,21,22,26,27)
InChIKeyGHBSCEISIUCVJX-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.96
Rot. Bonds3

About 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163274163) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID163274163
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN5O2/c1-11-17(8-16(24-23-11)15-9-21-19(27)22-18(15)26)25-7-6-13(10-25)12-2-4-14(20)5-3-12/h2-5,8-9,13H,6-7,10H2,1H3,(H2,21,22,26,27)
InChIKeyGHBSCEISIUCVJX-UHFFFAOYSA-N
XLogP1.96
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 163274163) is 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is GHBSCEISIUCVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-11-17(8-16(24-23-11)15-9-21-19(27)22-18(15)26)25-7-6-13(10-25)12-2-4-14(20)5-3-12/h2-5,8-9,13H,6-7,10H2,1H3,(H2,21,22,26,27).
What are the key properties of 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 367.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163274163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).