5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

C11H17BrN4O — CID 4062102

IUPAC5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESBrc1cnc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C11H17BrN4O/c12-10-8-14-11(15-9-10)13-2-1-3-16-4-6-17-7-5-16/h8-9H,1-7H2,(H,13,14,15)
InChIKeyOYQVNAKSSRDVGC-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.37
Rot. Bonds5

About 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 4062102) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID4062102
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESBrc1cnc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C11H17BrN4O/c12-10-8-14-11(15-9-10)13-2-1-3-16-4-6-17-7-5-16/h8-9H,1-7H2,(H,13,14,15)
InChIKeyOYQVNAKSSRDVGC-UHFFFAOYSA-N
XLogP1.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 4062102) is 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is Brc1cnc(NCCCN2CCOCC2)nc1.
What is the InChIKey of 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is OYQVNAKSSRDVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-10-8-14-11(15-9-10)13-2-1-3-16-4-6-17-7-5-16/h8-9H,1-7H2,(H,13,14,15).
What are the key properties of 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 4062102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).