5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine

C11H16BrN3O — CID 107081592

IUPAC5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCN(c1ncc(CBr)cn1)C1CC1
InChIInChI=1S/C11H16BrN3O/c1-16-5-4-15(10-2-3-10)11-13-7-9(6-12)8-14-11/h7-8,10H,2-6H2,1H3
InChIKeyYTIZFHZHLRDTOE-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.99
Rot. Bonds6

About 5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine

5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 107081592) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID107081592
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCN(c1ncc(CBr)cn1)C1CC1
InChIInChI=1S/C11H16BrN3O/c1-16-5-4-15(10-2-3-10)11-13-7-9(6-12)8-14-11/h7-8,10H,2-6H2,1H3
InChIKeyYTIZFHZHLRDTOE-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine (CID 107081592) is 5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine is COCCN(c1ncc(CBr)cn1)C1CC1.
What is the InChIKey of 5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is YTIZFHZHLRDTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-16-5-4-15(10-2-3-10)11-13-7-9(6-12)8-14-11/h7-8,10H,2-6H2,1H3.
What are the key properties of 5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine?
5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 286.17 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 107081592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).