N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine

C6H6F3N3O — CID 135006141

IUPACN-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine
SMILESCc1cc(C(F)(F)F)nc(NO)n1
InChIInChI=1S/C6H6F3N3O/c1-3-2-4(6(7,8)9)11-5(10-3)12-13/h2,13H,1H3,(H,10,11,12)
InChIKeyZELZUEPEPHJJLD-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.60
Rot. Bonds1

About N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine

N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine (PubChem CID 135006141) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine
PubChem CID135006141
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC NameN-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine
SMILESCc1cc(C(F)(F)F)nc(NO)n1
InChIInChI=1S/C6H6F3N3O/c1-3-2-4(6(7,8)9)11-5(10-3)12-13/h2,13H,1H3,(H,10,11,12)
InChIKeyZELZUEPEPHJJLD-UHFFFAOYSA-N
XLogP1.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4,6-dimethyl pyrimidine
CID 13021
2-Chloro-4,6-dimethylpyrimidine
CID 20550
4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 600769
4,6-Dimethylpyrimidin-2-ylthiourea
CID 747500
2,4-Difluoro-6-methylpyrimidine
CID 336951
2-Hydrazinyl-4,6-dimethylpyrimidine
CID 350535
N,4,6-Trimethyl-2-pyrimidinamine
CID 12223747
2-Fluoro-4,6-dimethylpyrimidine
CID 15738775
4-Methyl-pentan-2-one O-(4,6-dimethyl-pyrimidin-2-yl)-oxime
CID 5417820
Butan-2-one O-(4,6-dimethyl-pyrimidin-2-yl)-oxime
CID 5421395
Urea, (4,6-dimethyl-2-pyrimidinyl)-
CID 156499
(4,6-Dimethylpyrimidin-2-yl)cyanamide
CID 521618

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine?
The IUPAC name of N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine (CID 135006141) is N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine?
The canonical SMILES for N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine is Cc1cc(C(F)(F)F)nc(NO)n1.
What is the InChIKey of N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine?
The InChIKey is ZELZUEPEPHJJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-3-2-4(6(7,8)9)11-5(10-3)12-13/h2,13H,1H3,(H,10,11,12).
What are the key properties of N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine?
N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine has a molecular weight of 193.13 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]hydroxylamine is sourced from PubChem (CID 135006141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).