4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

C8H8ClF3N2O — CID 66277825

IUPAC4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCc1nc(Cl)cc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2O/c1-4(8(10,11)12)15-7-3-6(9)13-5(2)14-7/h3-4H,1-2H3
InChIKeyAAPPQUQYVZTATR-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.77
Rot. Bonds2

About 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (PubChem CID 66277825) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
PubChem CID66277825
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCc1nc(Cl)cc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2O/c1-4(8(10,11)12)15-7-3-6(9)13-5(2)14-7/h3-4H,1-2H3
InChIKeyAAPPQUQYVZTATR-UHFFFAOYSA-N
XLogP2.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (CID 66277825) is 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is Cc1nc(Cl)cc(OC(C)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The InChIKey is AAPPQUQYVZTATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c1-4(8(10,11)12)15-7-3-6(9)13-5(2)14-7/h3-4H,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine has a molecular weight of 240.61 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is sourced from PubChem (CID 66277825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).