5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine

C9H12BrN3 — CID 66341211

IUPAC5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCC1CCC1
InChIInChI=1S/C9H12BrN3/c10-8-5-11-6-13-9(8)12-4-7-2-1-3-7/h5-7H,1-4H2,(H,11,12,13)
InChIKeyPZGKYARZKMRDMP-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.45
Rot. Bonds3

About 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine

5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine (PubChem CID 66341211) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
PubChem CID66341211
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
SMILESBrc1cncnc1NCC1CCC1
InChIInChI=1S/C9H12BrN3/c10-8-5-11-6-13-9(8)12-4-7-2-1-3-7/h5-7H,1-4H2,(H,11,12,13)
InChIKeyPZGKYARZKMRDMP-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine (CID 66341211) is 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine is Brc1cncnc1NCC1CCC1.
What is the InChIKey of 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine?
The InChIKey is PZGKYARZKMRDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-8-5-11-6-13-9(8)12-4-7-2-1-3-7/h5-7H,1-4H2,(H,11,12,13).
What are the key properties of 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine?
5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine has a molecular weight of 242.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66341211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).