3-methyl-6-(trifluoromethyl)-4H-pyrimidine

C6H7F3N2 — CID 162568271

IUPAC3-methyl-6-(trifluoromethyl)-4H-pyrimidine
SMILESCN1C=NC(C(F)(F)F)=CC1
InChIInChI=1S/C6H7F3N2/c1-11-3-2-5(10-4-11)6(7,8)9/h2,4H,3H2,1H3
InChIKeyYQRACQSEPOZVPG-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.41
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-4H-pyrimidine

3-methyl-6-(trifluoromethyl)-4H-pyrimidine (PubChem CID 162568271) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-4H-pyrimidine.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-4H-pyrimidine
PubChem CID162568271
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name3-methyl-6-(trifluoromethyl)-4H-pyrimidine
SMILESCN1C=NC(C(F)(F)F)=CC1
InChIInChI=1S/C6H7F3N2/c1-11-3-2-5(10-4-11)6(7,8)9/h2,4H,3H2,1H3
InChIKeyYQRACQSEPOZVPG-UHFFFAOYSA-N
XLogP1.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-4H-pyrimidine?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-4H-pyrimidine (CID 162568271) is 3-methyl-6-(trifluoromethyl)-4H-pyrimidine.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-4H-pyrimidine?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-4H-pyrimidine is CN1C=NC(C(F)(F)F)=CC1.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-4H-pyrimidine?
The InChIKey is YQRACQSEPOZVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-11-3-2-5(10-4-11)6(7,8)9/h2,4H,3H2,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-4H-pyrimidine?
3-methyl-6-(trifluoromethyl)-4H-pyrimidine has a molecular weight of 164.13 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-4H-pyrimidine is sourced from PubChem (CID 162568271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).