5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine

C7H9BrClN3O — CID 58796593

IUPAC5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1nc(Cl)ncc1Br
InChIInChI=1S/C7H9BrClN3O/c1-13-3-2-10-6-5(8)4-11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyOJTZUALRLONMFA-UHFFFAOYSA-N
MW266.53 g/mol
LogP1.95
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 58796593) has the molecular formula C7H9BrClN3O and a molecular weight of 266.53 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID58796593
Molecular FormulaC7H9BrClN3O
Molecular Weight266.53 g/mol
Exact Mass264.96
IUPAC Name5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1nc(Cl)ncc1Br
InChIInChI=1S/C7H9BrClN3O/c1-13-3-2-10-6-5(8)4-11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyOJTZUALRLONMFA-UHFFFAOYSA-N
XLogP1.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.53
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine (CID 58796593) is 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is OJTZUALRLONMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3O/c1-13-3-2-10-6-5(8)4-11-7(9)12-6/h4H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 266.53 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 58796593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).