3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine

C15H16ClFN4O2 — CID 163289431

IUPAC3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3[C@H](C)F)c(Cl)nn2)c(OC)n1
InChIInChI=1S/C15H16ClFN4O2/c1-7(17)8-4-9(8)10-5-12(20-21-13(10)16)11-6-18-15(23-3)19-14(11)22-2/h5-9H,4H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyLLDDYTZGCDVKGM-YIZRAAEISA-N
MW338.77 g/mol
LogP3.07
Rot. Bonds5

About 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine

3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine (PubChem CID 163289431) has the molecular formula C15H16ClFN4O2 and a molecular weight of 338.77 g/mol. Its IUPAC name is 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine
PubChem CID163289431
Molecular FormulaC15H16ClFN4O2
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC Name3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3[C@H](C)F)c(Cl)nn2)c(OC)n1
InChIInChI=1S/C15H16ClFN4O2/c1-7(17)8-4-9(8)10-5-12(20-21-13(10)16)11-6-18-15(23-3)19-14(11)22-2/h5-9H,4H2,1-3H3/t7-,8+,9-/m0/s1
InChIKeyLLDDYTZGCDVKGM-YIZRAAEISA-N
XLogP3.07
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
CID 167110237
3-but-1-ynyl-4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
CID 163289230
4-[4-[(2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazin-3-yl]-2-methylbut-3-yn-2-ol
CID 167062214
4-[(E)-2-[(1R,2S)-2-[3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)pyridazin-4-yl]cyclopropyl]ethenyl]benzonitrile
CID 166999481
5-[5-[(1S,2S)-2-(fluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 163289385
6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-ethylcyclopropyl]pyridazin-3-amine
CID 172834022
2,4-diethoxy-5-[6-ethoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
CID 172683035
8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine
CID 163216830
5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 149085949
2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine
CID 163394429
7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine
CID 167110304
8-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034675

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine?
The IUPAC name of 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine (CID 163289431) is 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine.
What is the SMILES notation for 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine?
The canonical SMILES for 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine is COc1ncc(-c2cc([C@H]3C[C@@H]3[C@H](C)F)c(Cl)nn2)c(OC)n1.
What is the InChIKey of 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine?
The InChIKey is LLDDYTZGCDVKGM-YIZRAAEISA-N. The full InChI is InChI=1S/C15H16ClFN4O2/c1-7(17)8-4-9(8)10-5-12(20-21-13(10)16)11-6-18-15(23-3)19-14(11)22-2/h5-9H,4H2,1-3H3/t7-,8+,9-/m0/s1.
What are the key properties of 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine?
3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine has a molecular weight of 338.77 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine is sourced from PubChem (CID 163289431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).