2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine

C24H41BrN4 — CID 134284549

IUPAC2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine
SMILESCCCCCCCCCCCCCCc1nc(N2CCC2)nc(N2CCC2)c1Br
InChIInChI=1S/C24H41BrN4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-22(25)23(28-17-14-18-28)27-24(26-21)29-19-15-20-29/h2-20H2,1H3
InChIKeyHJDSEEMZIOMIRD-UHFFFAOYSA-N
MW465.52 g/mol
LogP6.90
Rot. Bonds15

About 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine

2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine (PubChem CID 134284549) has the molecular formula C24H41BrN4 and a molecular weight of 465.52 g/mol. Its IUPAC name is 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine.

Molecular Properties

Compound Name2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine
PubChem CID134284549
Molecular FormulaC24H41BrN4
Molecular Weight465.52 g/mol
Exact Mass464.25
IUPAC Name2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine
SMILESCCCCCCCCCCCCCCc1nc(N2CCC2)nc(N2CCC2)c1Br
InChIInChI=1S/C24H41BrN4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-22(25)23(28-17-14-18-28)27-24(26-21)29-19-15-20-29/h2-20H2,1H3
InChIKeyHJDSEEMZIOMIRD-UHFFFAOYSA-N
XLogP6.90
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.52
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2,4-bis(azetidin-1-yl)-6-hexadecylpyrimidin-5-ol;2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol;2,4-bis(azetidin-1-yl)-6-tetradecylpyrimidin-5-ol
CID 167581523
2-(azetidin-1-yl)-4-hexadecyl-6-propan-2-yloxypyrimidin-5-ol
CID 132578430
2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol
CID 132961465
2-(azepan-1-yl)-5-bromo-N-methyl-6-propylpyrimidin-4-amine
CID 66307142
2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine
CID 145141912
4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol
CID 154970513
4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine
CID 66294584
7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one
CID 141341019
5-bromo-6-ethyl-N-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66298260
5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine
CID 21199980
5-bromo-6-ethyl-2-piperidin-1-yl-N-propylpyrimidin-4-amine
CID 66298476
N-ethyl-5-iodo-2-piperidin-1-yl-6-propylpyrimidin-4-amine
CID 66307589

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine?
The IUPAC name of 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine (CID 134284549) is 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine.
What is the SMILES notation for 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine?
The canonical SMILES for 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine is CCCCCCCCCCCCCCc1nc(N2CCC2)nc(N2CCC2)c1Br.
What is the InChIKey of 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine?
The InChIKey is HJDSEEMZIOMIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41BrN4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-22(25)23(28-17-14-18-28)27-24(26-21)29-19-15-20-29/h2-20H2,1H3.
What are the key properties of 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine?
2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine has a molecular weight of 465.52 g/mol, XLogP of 6.90, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine is sourced from PubChem (CID 134284549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).