5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C10H13BrF3N3 — CID 107082267

IUPAC5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCC(C)N(CC(F)(F)F)c1ncc(CBr)cn1
InChIInChI=1S/C10H13BrF3N3/c1-7(2)17(6-10(12,13)14)9-15-4-8(3-11)5-16-9/h4-5,7H,3,6H2,1-2H3
InChIKeyRZSQFQMRAXVQIJ-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.15
Rot. Bonds4

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

5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 107082267) has the molecular formula C10H13BrF3N3 and a molecular weight of 312.13 g/mol. Its IUPAC name is 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID107082267
Molecular FormulaC10H13BrF3N3
Molecular Weight312.13 g/mol
Exact Mass311.02
IUPAC Name5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCC(C)N(CC(F)(F)F)c1ncc(CBr)cn1
InChIInChI=1S/C10H13BrF3N3/c1-7(2)17(6-10(12,13)14)9-15-4-8(3-11)5-16-9/h4-5,7H,3,6H2,1-2H3
InChIKeyRZSQFQMRAXVQIJ-UHFFFAOYSA-N
XLogP3.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 107082267) is 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is CC(C)N(CC(F)(F)F)c1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is RZSQFQMRAXVQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3/c1-7(2)17(6-10(12,13)14)9-15-4-8(3-11)5-16-9/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 312.13 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 107082267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).