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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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).