2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine

C8H10F2N2O — CID 121355359

IUPAC2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine
SMILESCCc1cnc(C(F)F)nc1OC
InChIInChI=1S/C8H10F2N2O/c1-3-5-4-11-7(6(9)10)12-8(5)13-2/h4,6H,3H2,1-2H3
InChIKeyCEOUEHMETYLXOO-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.99
Rot. Bonds3

About 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine

2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine (PubChem CID 121355359) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine
PubChem CID121355359
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine
SMILESCCc1cnc(C(F)F)nc1OC
InChIInChI=1S/C8H10F2N2O/c1-3-5-4-11-7(6(9)10)12-8(5)13-2/h4,6H,3H2,1-2H3
InChIKeyCEOUEHMETYLXOO-UHFFFAOYSA-N
XLogP1.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethoxy-5-(nonafluorobutyl)pyrimidine
CID 125484246
5-Pyrimidineethanol, 2,4-dimethoxy-
CID 15450835
5H-Pyrano[2,3-d]pyrimidine
CID 53439102
2-Chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
CID 57396909
4-Methoxy-5-methylpyrimidine
CID 13861006
2,4-Dimethoxy-5-(3-methylbut-2-enyl)pyrimidine
CID 121222316
2,4-Dimethoxy-5-(trifluoromethyl)pyrimidine
CID 21732778
4-Methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine
CID 126835232
5-(2-Fluoroethyl)-2,4-dimethoxypyrimidine
CID 91619481
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-2,4-dimethoxypyrimidine
CID 23264522
4-(Difluoromethoxy)-2-propan-2-ylpyrimidine
CID 54258906
5-Fluoro-4-methoxy-2-methylpyrimidine
CID 57998989

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine?
The IUPAC name of 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine (CID 121355359) is 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine.
What is the SMILES notation for 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine?
The canonical SMILES for 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine is CCc1cnc(C(F)F)nc1OC.
What is the InChIKey of 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine?
The InChIKey is CEOUEHMETYLXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-3-5-4-11-7(6(9)10)12-8(5)13-2/h4,6H,3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine?
2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine has a molecular weight of 188.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-ethyl-4-methoxypyrimidine is sourced from PubChem (CID 121355359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).