N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine

C12H15BrF3N3 — CID 102871356

IUPACN-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(CCCBr)C2CCC2)n1
InChIInChI=1S/C12H15BrF3N3/c13-6-2-8-19(9-3-1-4-9)11-17-7-5-10(18-11)12(14,15)16/h5,7,9H,1-4,6,8H2
InChIKeyHHDGQAATKICXNE-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.64
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine

N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 102871356) has the molecular formula C12H15BrF3N3 and a molecular weight of 338.17 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID102871356
Molecular FormulaC12H15BrF3N3
Molecular Weight338.17 g/mol
Exact Mass337.04
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(CCCBr)C2CCC2)n1
InChIInChI=1S/C12H15BrF3N3/c13-6-2-8-19(9-3-1-4-9)11-17-7-5-10(18-11)12(14,15)16/h5,7,9H,1-4,6,8H2
InChIKeyHHDGQAATKICXNE-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclobutyl(3-hydroxypropyl)amino]pyrimidine-4-carbothioamide
CID 107548195
N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586649
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366
N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine
CID 114789865
N-(2-chloroethyl)-N-cyclopentyl-4-methylpyrimidin-2-amine
CID 63388934
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 106621340
N-(3-bromopropyl)-N-cyclobutylpyrazolo[1,5-a]pyrazin-4-amine
CID 102871209
N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 133272153
N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133271752
N-(2-bromoethyl)-N-cyclobutyl-5-(trifluoromethyl)pyridin-2-amine
CID 102871511

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 102871356) is N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(N(CCCBr)C2CCC2)n1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HHDGQAATKICXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3N3/c13-6-2-8-19(9-3-1-4-9)11-17-7-5-10(18-11)12(14,15)16/h5,7,9H,1-4,6,8H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 338.17 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 102871356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).