2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine

C15H13F5N2O2 — CID 146231756

IUPAC2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine
SMILESCc1nc(OCc2ccccc2)cc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C15H13F5N2O2/c1-10-21-12(23-8-11-5-3-2-4-6-11)7-13(22-10)24-9-14(16,17)15(18,19)20/h2-7H,8-9H2,1H3
InChIKeyMZQWFJYWVOGUIM-UHFFFAOYSA-N
MW348.27 g/mol
LogP3.94
Rot. Bonds6

About 2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine

2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine (PubChem CID 146231756) has the molecular formula C15H13F5N2O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine
PubChem CID146231756
Molecular FormulaC15H13F5N2O2
Molecular Weight348.27 g/mol
Exact Mass348.09
IUPAC Name2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine
SMILESCc1nc(OCc2ccccc2)cc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C15H13F5N2O2/c1-10-21-12(23-8-11-5-3-2-4-6-11)7-13(22-10)24-9-14(16,17)15(18,19)20/h2-7H,8-9H2,1H3
InChIKeyMZQWFJYWVOGUIM-UHFFFAOYSA-N
XLogP3.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.94
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-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine?
The IUPAC name of 2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine (CID 146231756) is 2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine.
What is the SMILES notation for 2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine?
The canonical SMILES for 2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine is Cc1nc(OCc2ccccc2)cc(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine?
The InChIKey is MZQWFJYWVOGUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N2O2/c1-10-21-12(23-8-11-5-3-2-4-6-11)7-13(22-10)24-9-14(16,17)15(18,19)20/h2-7H,8-9H2,1H3.
What are the key properties of 2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine?
2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine has a molecular weight of 348.27 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-phenylmethoxypyrimidine is sourced from PubChem (CID 146231756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).