5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine

C10H14F2N2O2 — CID 162378491

IUPAC5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine
SMILESCOc1ncnc(OC(F)F)c1C(C)(C)C
InChIInChI=1S/C10H14F2N2O2/c1-10(2,3)6-7(15-4)13-5-14-8(6)16-9(11)12/h5,9H,1-4H3
InChIKeyCITAJERYDOGVEY-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.38
Rot. Bonds3

About 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine

5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine (PubChem CID 162378491) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine.

Molecular Properties

Compound Name5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine
PubChem CID162378491
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine
SMILESCOc1ncnc(OC(F)F)c1C(C)(C)C
InChIInChI=1S/C10H14F2N2O2/c1-10(2,3)6-7(15-4)13-5-14-8(6)16-9(11)12/h5,9H,1-4H3
InChIKeyCITAJERYDOGVEY-UHFFFAOYSA-N
XLogP2.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine?
The IUPAC name of 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine (CID 162378491) is 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine.
What is the SMILES notation for 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine?
The canonical SMILES for 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine is COc1ncnc(OC(F)F)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine?
The InChIKey is CITAJERYDOGVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-10(2,3)6-7(15-4)13-5-14-8(6)16-9(11)12/h5,9H,1-4H3.
What are the key properties of 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine?
5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine has a molecular weight of 232.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine is sourced from PubChem (CID 162378491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).