4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine

C9H11F3N2O — CID 58115651

IUPAC4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncnc(C(C)C)c1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5(2)7-6(9(10,11)12)8(15-3)14-4-13-7/h4-5H,1-3H3
InChIKeyZUQYVDNJJOPGAU-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.63
Rot. Bonds2

About 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine

4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 58115651) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
PubChem CID58115651
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncnc(C(C)C)c1C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-5(2)7-6(9(10,11)12)8(15-3)14-4-13-7/h4-5H,1-3H3
InChIKeyZUQYVDNJJOPGAU-UHFFFAOYSA-N
XLogP2.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine (CID 58115651) is 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine is COc1ncnc(C(C)C)c1C(F)(F)F.
What is the InChIKey of 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is ZUQYVDNJJOPGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)7-6(9(10,11)12)8(15-3)14-4-13-7/h4-5H,1-3H3.
What are the key properties of 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine?
4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 220.19 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58115651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).