2-methyl-4-(trifluoromethyl)pyrimidin-1-ium

C6H6F3N2+ — CID 123754091

IUPAC2-methyl-4-(trifluoromethyl)pyrimidin-1-ium
SMILESCc1nc(C(F)(F)F)cc[nH+]1
InChIInChI=1S/C6H5F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-3H,1H3/p+1
InChIKeyZVMBMBOULDNRBQ-UHFFFAOYSA-O
MW163.12 g/mol
LogP1.22
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium

2-methyl-4-(trifluoromethyl)pyrimidin-1-ium (PubChem CID 123754091) has the molecular formula C6H6F3N2+ and a molecular weight of 163.12 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)pyrimidin-1-ium
PubChem CID123754091
Molecular FormulaC6H6F3N2+
Molecular Weight163.12 g/mol
Exact Mass163.05
IUPAC Name2-methyl-4-(trifluoromethyl)pyrimidin-1-ium
SMILESCc1nc(C(F)(F)F)cc[nH+]1
InChIInChI=1S/C6H5F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-3H,1H3/p+1
InChIKeyZVMBMBOULDNRBQ-UHFFFAOYSA-O
XLogP1.22
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Amino-4-methylpyrimidine
CID 7939
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
6-(Trifluoromethyl)pyrimidin-4-amine
CID 22385756
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
2-Chloro-4-(trifluoromethyl)pyrimidine
CID 2773912
2-Fluoro-4-methylpyrimidine
CID 17804394
6-[2-(trifluoromethyl)pyrimidin-4-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117817545
4-Methylpyrimidine-2-carbonitrile
CID 12684324
1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
CID 2782067
4-Methyl-2-pyrimidinemethanamine
CID 18727763
(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium?
The IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium (CID 123754091) is 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium is Cc1nc(C(F)(F)F)cc[nH+]1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium?
The InChIKey is ZVMBMBOULDNRBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-3H,1H3/p+1.
What are the key properties of 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium?
2-methyl-4-(trifluoromethyl)pyrimidin-1-ium has a molecular weight of 163.12 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)pyrimidin-1-ium is sourced from PubChem (CID 123754091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).