5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C10H11BrF3N3 — CID 107082231

IUPAC5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CN(c1ncc(CBr)cn1)C1CC1
InChIInChI=1S/C10H11BrF3N3/c11-3-7-4-15-9(16-5-7)17(8-1-2-8)6-10(12,13)14/h4-5,8H,1-3,6H2
InChIKeyDRWNFOQXYZIUSR-UHFFFAOYSA-N
MW310.12 g/mol
LogP2.90
Rot. Bonds4

About 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 107082231) has the molecular formula C10H11BrF3N3 and a molecular weight of 310.12 g/mol. Its IUPAC name is 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID107082231
Molecular FormulaC10H11BrF3N3
Molecular Weight310.12 g/mol
Exact Mass309.01
IUPAC Name5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CN(c1ncc(CBr)cn1)C1CC1
InChIInChI=1S/C10H11BrF3N3/c11-3-7-4-15-9(16-5-7)17(8-1-2-8)6-10(12,13)14/h4-5,8H,1-3,6H2
InChIKeyDRWNFOQXYZIUSR-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 52.90
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

4-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)aniline
CID 107082234
5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107081592
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62283700
5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 107084638
5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630541
N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630706
[5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyrazin-2-yl]methanol
CID 107372801
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 66320184
N-cyclopropyl-5-[(cyclopropylamino)methyl]-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637515
5-(2-aminopropyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80634944
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile
CID 115487615
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750292

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 107082231) is 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is FC(F)(F)CN(c1ncc(CBr)cn1)C1CC1.
What is the InChIKey of 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is DRWNFOQXYZIUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3/c11-3-7-4-15-9(16-5-7)17(8-1-2-8)6-10(12,13)14/h4-5,8H,1-3,6H2.
What are the key properties of 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 310.12 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 107082231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).