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

C9H10ClF3N2O — CID 80663085

IUPAC4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine
SMILESCc1cc(Cl)nc(COC(C)C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-5-3-7(10)15-8(14-5)4-16-6(2)9(11,12)13/h3,6H,4H2,1-2H3
InChIKeyYWZKYUFWYBREGS-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.91
Rot. Bonds3

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

4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine (PubChem CID 80663085) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine
PubChem CID80663085
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine
SMILESCc1cc(Cl)nc(COC(C)C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2O/c1-5-3-7(10)15-8(14-5)4-16-6(2)9(11,12)13/h3,6H,4H2,1-2H3
InChIKeyYWZKYUFWYBREGS-UHFFFAOYSA-N
XLogP2.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine (CID 80663085) is 4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine is Cc1cc(Cl)nc(COC(C)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine?
The InChIKey is YWZKYUFWYBREGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-5-3-7(10)15-8(14-5)4-16-6(2)9(11,12)13/h3,6H,4H2,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine?
4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine has a molecular weight of 254.64 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)pyrimidine is sourced from PubChem (CID 80663085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).