5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C18H15ClN4O2 — CID 170167017

IUPAC5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(C2CC2(Cl)c2ccc(-c3c[nH]c(=O)[nH]c3=O)nn2)cc1
InChIInChI=1S/C18H15ClN4O2/c1-10-2-4-11(5-3-10)13-8-18(13,19)15-7-6-14(22-23-15)12-9-20-17(25)21-16(12)24/h2-7,9,13H,8H2,1H3,(H2,20,21,24,25)
InChIKeyQJAQMATYQJAFQY-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.45
Rot. Bonds3

About 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170167017) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID170167017
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(C2CC2(Cl)c2ccc(-c3c[nH]c(=O)[nH]c3=O)nn2)cc1
InChIInChI=1S/C18H15ClN4O2/c1-10-2-4-11(5-3-10)13-8-18(13,19)15-7-6-14(22-23-15)12-9-20-17(25)21-16(12)24/h2-7,9,13H,8H2,1H3,(H2,20,21,24,25)
InChIKeyQJAQMATYQJAFQY-UHFFFAOYSA-N
XLogP2.45
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-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-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 170167017) is 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1ccc(C2CC2(Cl)c2ccc(-c3c[nH]c(=O)[nH]c3=O)nn2)cc1.
What is the InChIKey of 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is QJAQMATYQJAFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-10-2-4-11(5-3-10)13-8-18(13,19)15-7-6-14(22-23-15)12-9-20-17(25)21-16(12)24/h2-7,9,13H,8H2,1H3,(H2,20,21,24,25).
What are the key properties of 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 354.80 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-chloro-2-(4-methylphenyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170167017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).