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

C20H18F2N6O3 — CID 163274087

IUPAC5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F2N6O3/c1-11-17(9-16(26-25-11)14-10-23-20(31)24-18(14)29)27-4-6-28(7-5-27)19(30)13-3-2-12(21)8-15(13)22/h2-3,8-10H,4-7H2,1H3,(H2,23,24,29,31)
InChIKeyYMZNIVUXTVWJRW-UHFFFAOYSA-N
MW428.40 g/mol
LogP1.07
Rot. Bonds3

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

5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163274087) has the molecular formula C20H18F2N6O3 and a molecular weight of 428.40 g/mol. Its IUPAC name is 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID163274087
Molecular FormulaC20H18F2N6O3
Molecular Weight428.40 g/mol
Exact Mass428.14
IUPAC Name5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F2N6O3/c1-11-17(9-16(26-25-11)14-10-23-20(31)24-18(14)29)27-4-6-28(7-5-27)19(30)13-3-2-12(21)8-15(13)22/h2-3,8-10H,4-7H2,1H3,(H2,23,24,29,31)
InChIKeyYMZNIVUXTVWJRW-UHFFFAOYSA-N
XLogP1.07
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 163274087) is 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is YMZNIVUXTVWJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O3/c1-11-17(9-16(26-25-11)14-10-23-20(31)24-18(14)29)27-4-6-28(7-5-27)19(30)13-3-2-12(21)8-15(13)22/h2-3,8-10H,4-7H2,1H3,(H2,23,24,29,31).
What are the key properties of 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 428.40 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163274087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).