N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine

C8H9ClF3N3 — CID 64586649

IUPACN-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(CCCl)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3/c1-15(5-3-9)7-13-4-2-6(14-7)8(10,11)12/h2,4H,3,5H2,1H3
InChIKeyRSQBCHLJYMWLQM-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.17
Rot. Bonds3

About N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 64586649) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID64586649
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC NameN-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(CCCl)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3/c1-15(5-3-9)7-13-4-2-6(14-7)8(10,11)12/h2,4H,3,5H2,1H3
InChIKeyRSQBCHLJYMWLQM-UHFFFAOYSA-N
XLogP2.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-methylpyrimidine
CID 7939
4-Methylpyrimidine
CID 18922
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
2-Chloro-4-(trifluoromethyl)pyrimidine
CID 2773912
2-Bromo-4-(trifluoromethyl)pyrimidine
CID 11436086
2-Chloro-4-methylpyrimidine
CID 11629607
2-Fluoro-4-methylpyrimidine
CID 17804394
2-(Methylthio)-4-(trifluoromethyl)pyrimidine
CID 2780414
Ethenamine, N,N-dimethyl-2-(4-pyrimidinyl)-
CID 6433770
4-(Chloromethyl)pyrimidine
CID 13123553
2-Chloro-4-(difluoromethyl)pyrimidine
CID 71742924
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 64586649) is N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is CN(CCCl)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RSQBCHLJYMWLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-15(5-3-9)7-13-4-2-6(14-7)8(10,11)12/h2,4H,3,5H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 239.63 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 64586649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).