5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine

C17H22N4O3 — CID 149085949

IUPAC5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc(C3CC(C)(C)C3)c(OC)nn2)c(OC)n1
InChIInChI=1S/C17H22N4O3/c1-17(2)7-10(8-17)11-6-13(20-21-15(11)23-4)12-9-18-16(24-5)19-14(12)22-3/h6,9-10H,7-8H2,1-5H3
InChIKeyQRGHWXYQNAYEJK-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.86
Rot. Bonds5

About 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine

5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine (PubChem CID 149085949) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine
PubChem CID149085949
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc(C3CC(C)(C)C3)c(OC)nn2)c(OC)n1
InChIInChI=1S/C17H22N4O3/c1-17(2)7-10(8-17)11-6-13(20-21-15(11)23-4)12-9-18-16(24-5)19-14(12)22-3/h6,9-10H,7-8H2,1-5H3
InChIKeyQRGHWXYQNAYEJK-UHFFFAOYSA-N
XLogP2.86
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-ethylcyclopropyl]pyridazin-3-amine
CID 172834022
5-[5-[(1S,2S)-2-(fluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 163289385
3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine
CID 163289431
5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 175692811
3-but-1-ynyl-4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
CID 163289230
6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile
CID 163274093
2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
CID 71460489
4-[4-[(2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazin-3-yl]-2-methylbut-3-yn-2-ol
CID 167062214
methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 163274123
4-[(E)-2-[(1R,2S)-2-[3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)pyridazin-4-yl]cyclopropyl]ethenyl]benzonitrile
CID 166999481
7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine
CID 167110304

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine?
The IUPAC name of 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine (CID 149085949) is 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine is COc1ncc(-c2cc(C3CC(C)(C)C3)c(OC)nn2)c(OC)n1.
What is the InChIKey of 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine?
The InChIKey is QRGHWXYQNAYEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2)7-10(8-17)11-6-13(20-21-15(11)23-4)12-9-18-16(24-5)19-14(12)22-3/h6,9-10H,7-8H2,1-5H3.
What are the key properties of 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine?
5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine has a molecular weight of 330.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine is sourced from PubChem (CID 149085949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).