5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine

C10H13F3N2 — CID 58449999

IUPAC5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)CCc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2/c1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyRVQSGFOFASIVBB-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.08
Rot. Bonds3

About 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine

5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 58449999) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine
PubChem CID58449999
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)CCc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H13F3N2/c1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyRVQSGFOFASIVBB-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine (CID 58449999) is 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine is CC(C)CCc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is RVQSGFOFASIVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine?
5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 218.22 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58449999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).