4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

C9H10ClF3N2O — CID 66277827

IUPAC4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCc1nc(Cl)c(C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-4-7(10)14-6(3)15-8(4)16-5(2)9(11,12)13/h5H,1-3H3
InChIKeyUYCPVFUGWOEUJN-UHFFFAOYSA-N
MW254.64 g/mol
LogP3.08
Rot. Bonds2

About 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (PubChem CID 66277827) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
PubChem CID66277827
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCc1nc(Cl)c(C)c(OC(C)C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-4-7(10)14-6(3)15-8(4)16-5(2)9(11,12)13/h5H,1-3H3
InChIKeyUYCPVFUGWOEUJN-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (CID 66277827) is 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is Cc1nc(Cl)c(C)c(OC(C)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The InChIKey is UYCPVFUGWOEUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-4-7(10)14-6(3)15-8(4)16-5(2)9(11,12)13/h5H,1-3H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine has a molecular weight of 254.64 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is sourced from PubChem (CID 66277827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).