5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine

C16H19FN4O2 — CID 146762018

IUPAC5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc(C3CC3CCF)c(C)nn2)c(OC)n1
InChIInChI=1S/C16H19FN4O2/c1-9-11(12-6-10(12)4-5-17)7-14(21-20-9)13-8-18-16(23-3)19-15(13)22-2/h7-8,10,12H,4-6H2,1-3H3
InChIKeyRPPTWNXASIKORE-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.72
Rot. Bonds6

About 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine

5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine (PubChem CID 146762018) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
PubChem CID146762018
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc(C3CC3CCF)c(C)nn2)c(OC)n1
InChIInChI=1S/C16H19FN4O2/c1-9-11(12-6-10(12)4-5-17)7-14(21-20-9)13-8-18-16(23-3)19-15(13)22-2/h7-8,10,12H,4-6H2,1-3H3
InChIKeyRPPTWNXASIKORE-UHFFFAOYSA-N
XLogP2.72
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
The IUPAC name of 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine (CID 146762018) is 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine is COc1ncc(-c2cc(C3CC3CCF)c(C)nn2)c(OC)n1.
What is the InChIKey of 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
The InChIKey is RPPTWNXASIKORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-9-11(12-6-10(12)4-5-17)7-14(21-20-9)13-8-18-16(23-3)19-15(13)22-2/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine has a molecular weight of 318.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine is sourced from PubChem (CID 146762018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).