5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine

C12H19BrN4O2 — CID 106998147

IUPAC5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
SMILESCOc1nc(NCCOC2CCNCC2)ncc1Br
InChIInChI=1S/C12H19BrN4O2/c1-18-11-10(13)8-16-12(17-11)15-6-7-19-9-2-4-14-5-3-9/h8-9,14H,2-7H2,1H3,(H,15,16,17)
InChIKeySFNGIKTWUGYTBG-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.43
Rot. Bonds6

About 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine (PubChem CID 106998147) has the molecular formula C12H19BrN4O2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
PubChem CID106998147
Molecular FormulaC12H19BrN4O2
Molecular Weight331.21 g/mol
Exact Mass330.07
IUPAC Name5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
SMILESCOc1nc(NCCOC2CCNCC2)ncc1Br
InChIInChI=1S/C12H19BrN4O2/c1-18-11-10(13)8-16-12(17-11)15-6-7-19-9-2-4-14-5-3-9/h8-9,14H,2-7H2,1H3,(H,15,16,17)
InChIKeySFNGIKTWUGYTBG-UHFFFAOYSA-N
XLogP1.43
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine (CID 106998147) is 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine is COc1nc(NCCOC2CCNCC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
The InChIKey is SFNGIKTWUGYTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2/c1-18-11-10(13)8-16-12(17-11)15-6-7-19-9-2-4-14-5-3-9/h8-9,14H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine has a molecular weight of 331.21 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 106998147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).