5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

C10H15BrN4 — CID 66339705

IUPAC5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCCN1CCCC1
InChIInChI=1S/C10H15BrN4/c11-9-7-12-8-14-10(9)13-3-6-15-4-1-2-5-15/h7-8H,1-6H2,(H,12,13,14)
InChIKeyWGXVIZHGFAJDDJ-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.75
Rot. Bonds4

About 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (PubChem CID 66339705) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
PubChem CID66339705
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCCN1CCCC1
InChIInChI=1S/C10H15BrN4/c11-9-7-12-8-14-10(9)13-3-6-15-4-1-2-5-15/h7-8H,1-6H2,(H,12,13,14)
InChIKeyWGXVIZHGFAJDDJ-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (CID 66339705) is 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is Brc1cncnc1NCCN1CCCC1.
What is the InChIKey of 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is WGXVIZHGFAJDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c11-9-7-12-8-14-10(9)13-3-6-15-4-1-2-5-15/h7-8H,1-6H2,(H,12,13,14).
What are the key properties of 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 271.16 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66339705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).