2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine

C8H7F5N2O2 — CID 23264447

IUPAC2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESCOc1ncc(C(F)(F)C(F)(F)F)c(OC)n1
InChIInChI=1S/C8H7F5N2O2/c1-16-5-4(3-14-6(15-5)17-2)7(9,10)8(11,12)13/h3H,1-2H3
InChIKeyYPLOBALFWLAGKC-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.15
Rot. Bonds3

About 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine

2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine (PubChem CID 23264447) has the molecular formula C8H7F5N2O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine
PubChem CID23264447
Molecular FormulaC8H7F5N2O2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESCOc1ncc(C(F)(F)C(F)(F)F)c(OC)n1
InChIInChI=1S/C8H7F5N2O2/c1-16-5-4(3-14-6(15-5)17-2)7(9,10)8(11,12)13/h3H,1-2H3
InChIKeyYPLOBALFWLAGKC-UHFFFAOYSA-N
XLogP2.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethoxy-5-methylpyrimidine
CID 579948
2,4-Dimethoxy-5-(nonafluorobutyl)pyrimidine
CID 125484246
2,4-Dimethoxy-5-[2-(methoxymethoxy)ethyl]pyrimidine
CID 57401299
5-Pyrimidineethanol, 2,4-dimethoxy-
CID 15450835
5-Fluoro-2,4-dimethoxypyrimidine
CID 268774
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
2,4-Bis(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 118498160
2-Methoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282354

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine (CID 23264447) is 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine is COc1ncc(C(F)(F)C(F)(F)F)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The InChIKey is YPLOBALFWLAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2/c1-16-5-4(3-14-6(15-5)17-2)7(9,10)8(11,12)13/h3H,1-2H3.
What are the key properties of 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine has a molecular weight of 258.15 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine is sourced from PubChem (CID 23264447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).