5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine

C16H20N4O2 — CID 175692811

IUPAC5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
SMILESCCC1(c2cc(-c3cnc(OC)nc3OC)nnc2C)CC1
InChIInChI=1S/C16H20N4O2/c1-5-16(6-7-16)12-8-13(20-19-10(12)2)11-9-17-15(22-4)18-14(11)21-3/h8-9H,5-7H2,1-4H3
InChIKeyRQLHQYUMXQWAFY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.70
Rot. Bonds5

About 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine

5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine (PubChem CID 175692811) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
PubChem CID175692811
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
SMILESCCC1(c2cc(-c3cnc(OC)nc3OC)nnc2C)CC1
InChIInChI=1S/C16H20N4O2/c1-5-16(6-7-16)12-8-13(20-19-10(12)2)11-9-17-15(22-4)18-14(11)21-3/h8-9H,5-7H2,1-4H3
InChIKeyRQLHQYUMXQWAFY-UHFFFAOYSA-N
XLogP2.70
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-[(1S,2S)-2-(fluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 163289385
5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 149085949
6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-ethylcyclopropyl]pyridazin-3-amine
CID 172834022
2,4-dimethoxy-5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]pyrimidine
CID 166934989
2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
CID 71460489
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-pyrrolidin-1-ylpyridazine-3-carbonitrile
CID 163274093
4-[[3-[6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazin-4-yl]pyrazol-1-yl]methyl]benzonitrile
CID 166934693
4-[[1-[6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazin-4-yl]pyrrol-3-yl]methyl]benzonitrile
CID 166934665
2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
CID 90464410
3-but-1-ynyl-4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
CID 163289230
methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 163274123

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
The IUPAC name of 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine (CID 175692811) is 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine is CCC1(c2cc(-c3cnc(OC)nc3OC)nnc2C)CC1.
What is the InChIKey of 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
The InChIKey is RQLHQYUMXQWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-5-16(6-7-16)12-8-13(20-19-10(12)2)11-9-17-15(22-4)18-14(11)21-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine has a molecular weight of 300.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine is sourced from PubChem (CID 175692811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).