4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

C9H11F3N2 — CID 59379317

IUPAC4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2/c1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h3-4,6H,5H2,1-2H3
InChIKeyLDZVCQFJUYIZPH-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.69
Rot. Bonds2

About 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine

4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 59379317) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
PubChem CID59379317
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Cc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2/c1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h3-4,6H,5H2,1-2H3
InChIKeyLDZVCQFJUYIZPH-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine (CID 59379317) is 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is CC(C)Cc1ccnc(C(F)(F)F)n1.
What is the InChIKey of 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is LDZVCQFJUYIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-6(2)5-7-3-4-13-8(14-7)9(10,11)12/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine?
4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 204.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 59379317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).