3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine

C13H11ClF2N4O2 — CID 149486932

IUPAC3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
SMILESCOc1ncc(-c2cc(C3CC3(F)F)c(Cl)nn2)c(OC)n1
InChIInChI=1S/C13H11ClF2N4O2/c1-21-11-7(5-17-12(18-11)22-2)9-3-6(10(14)20-19-9)8-4-13(8,15)16/h3,5,8H,4H2,1-2H3
InChIKeyZEIRUGRYRQLRRG-UHFFFAOYSA-N
MW328.71 g/mol
LogP2.73
Rot. Bonds4

About 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine

3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine (PubChem CID 149486932) has the molecular formula C13H11ClF2N4O2 and a molecular weight of 328.71 g/mol. Its IUPAC name is 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
PubChem CID149486932
Molecular FormulaC13H11ClF2N4O2
Molecular Weight328.71 g/mol
Exact Mass328.05
IUPAC Name3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
SMILESCOc1ncc(-c2cc(C3CC3(F)F)c(Cl)nn2)c(OC)n1
InChIInChI=1S/C13H11ClF2N4O2/c1-21-11-7(5-17-12(18-11)22-2)9-3-6(10(14)20-19-9)8-4-13(8,15)16/h3,5,8H,4H2,1-2H3
InChIKeyZEIRUGRYRQLRRG-UHFFFAOYSA-N
XLogP2.73
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.71
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-6-(4-chloro-phenyl)-2-(3-trifluoromethyl-pyrazol-1-yl)-pyrimidine
CID 58282664
4-Methoxy-6-(3-chloro-phenyl)-2-(3-trifluoromethyl-pyrazol-1-yl)-pyrimidine
CID 58282666
5-(2-Fluoro-6-methyl-pyridin-3-yl)-2,4-dimethoxy-pyrimidine
CID 58994242
4-Methoxy-6-(2-methylbutyl)-2-pyrazol-1-yl-5-(2,4,6-trifluorophenyl)pyrimidine
CID 69656298
4-(3-Fluorophenyl)-5-(6-methoxypyridazin-3-yl)pyrimidin-2-amine
CID 69677895
4-(3,4-Difluorophenyl)-5-(6-methoxypyridazin-3-yl)pyrimidin-2-amine
CID 69677919
4-(2,6-Difluorophenyl)-5-(6-methoxypyridazin-3-yl)pyrimidin-2-amine
CID 69678041
4-(3,5-Difluorophenyl)-5-(6-methoxypyridazin-3-yl)pyrimidin-2-amine
CID 69678330
4-(5-chloro-2-(1-(difluoromethyl)-1H-pyrazol-4-yl)phenyl)-6-methoxypyrimidine
CID 118277660
2-[4-(3,5-Difluorophenyl)-1,5-dimethylpyrazol-3-yl]oxypyrimidine
CID 137435042
3-Chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
CID 146736822
5-[5-[2-(2-Fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 146762018

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
The IUPAC name of 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine (CID 149486932) is 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine.
What is the SMILES notation for 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
The canonical SMILES for 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine is COc1ncc(-c2cc(C3CC3(F)F)c(Cl)nn2)c(OC)n1.
What is the InChIKey of 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
The InChIKey is ZEIRUGRYRQLRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N4O2/c1-21-11-7(5-17-12(18-11)22-2)9-3-6(10(14)20-19-9)8-4-13(8,15)16/h3,5,8H,4H2,1-2H3.
What are the key properties of 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine has a molecular weight of 328.71 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,2-difluorocyclopropyl)-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine is sourced from PubChem (CID 149486932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).