2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine

C10H7F9N2O2 — CID 125484246

IUPAC2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine
SMILESCOc1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OC)n1
InChIInChI=1S/C10H7F9N2O2/c1-22-5-4(3-20-6(21-5)23-2)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3
InChIKeyGEWCUVLRHIXPLH-UHFFFAOYSA-N
MW358.16 g/mol
LogP3.42
Rot. Bonds5

About 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine

2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine (PubChem CID 125484246) has the molecular formula C10H7F9N2O2 and a molecular weight of 358.16 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine
PubChem CID125484246
Molecular FormulaC10H7F9N2O2
Molecular Weight358.16 g/mol
Exact Mass358.04
IUPAC Name2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine
SMILESCOc1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OC)n1
InChIInChI=1S/C10H7F9N2O2/c1-22-5-4(3-20-6(21-5)23-2)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3
InChIKeyGEWCUVLRHIXPLH-UHFFFAOYSA-N
XLogP3.42
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine (CID 125484246) is 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine is COc1ncc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine?
The InChIKey is GEWCUVLRHIXPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F9N2O2/c1-22-5-4(3-20-6(21-5)23-2)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3.
What are the key properties of 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine?
2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine has a molecular weight of 358.16 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine is sourced from PubChem (CID 125484246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).