4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine

C10H12ClF3N2O — CID 80972973

IUPAC4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCC(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N2O/c1-3-4-7-15-8(11)6(2)9(16-7)17-5-10(12,13)14/h3-5H2,1-2H3
InChIKeyQETOKZCMWFXYIS-UHFFFAOYSA-N
MW268.67 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine

4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 80972973) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID80972973
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCC(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N2O/c1-3-4-7-15-8(11)6(2)9(16-7)17-5-10(12,13)14/h3-5H2,1-2H3
InChIKeyQETOKZCMWFXYIS-UHFFFAOYSA-N
XLogP3.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
CID 112587573
4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80972729
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
CID 80974467
4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
CID 80974080
4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine
CID 80973930
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
CID 80973302
4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
CID 106794814
2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80988030
4-chloro-6-(3-fluoro-4-methylphenoxy)-5-methyl-2-propylpyrimidine
CID 107169178
4-chloro-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-2-propylpyrimidine
CID 81346219
5-methyl-2-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794553

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine (CID 80972973) is 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine is CCCc1nc(Cl)c(C)c(OCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is QETOKZCMWFXYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-3-4-7-15-8(11)6(2)9(16-7)17-5-10(12,13)14/h3-5H2,1-2H3.
What are the key properties of 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 268.67 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 80972973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).