5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine

C9H11F3N2 — CID 139481007

IUPAC5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1c(C(C)C)ncnc1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-5(2)7-6(3)8(9(10,11)12)14-4-13-7/h4-5H,1-3H3
InChIKeyYGLZDPVXWRJBOF-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.93
Rot. Bonds1

About 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine

5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 139481007) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID139481007
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCc1c(C(C)C)ncnc1C(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-5(2)7-6(3)8(9(10,11)12)14-4-13-7/h4-5H,1-3H3
InChIKeyYGLZDPVXWRJBOF-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine (CID 139481007) is 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine is Cc1c(C(C)C)ncnc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is YGLZDPVXWRJBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-5(2)7-6(3)8(9(10,11)12)14-4-13-7/h4-5H,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine?
5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 204.19 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 139481007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).