5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C20H15F2N5O2 — CID 162433973

IUPAC5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1-c1ccn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C20H15F2N5O2/c1-11-15(7-18(26-25-11)16-8-23-20(29)24-19(16)28)12-4-5-27(9-12)10-13-2-3-14(21)6-17(13)22/h2-9H,10H2,1H3,(H2,23,24,28,29)
InChIKeySJYURGHZYNBADJ-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.62
Rot. Bonds4

About 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 162433973) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID162433973
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1-c1ccn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C20H15F2N5O2/c1-11-15(7-18(26-25-11)16-8-23-20(29)24-19(16)28)12-4-5-27(9-12)10-13-2-3-14(21)6-17(13)22/h2-9H,10H2,1H3,(H2,23,24,28,29)
InChIKeySJYURGHZYNBADJ-UHFFFAOYSA-N
XLogP2.62
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 162433973) is 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1-c1ccn(Cc2ccc(F)cc2F)c1.
What is the InChIKey of 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is SJYURGHZYNBADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c1-11-15(7-18(26-25-11)16-8-23-20(29)24-19(16)28)12-4-5-27(9-12)10-13-2-3-14(21)6-17(13)22/h2-9H,10H2,1H3,(H2,23,24,28,29).
What are the key properties of 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 395.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 162433973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).