5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine

C4H4BrClN3P — CID 143899539

IUPAC5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
SMILESPNc1nc(Cl)ncc1Br
InChIInChI=1S/C4H4BrClN3P/c5-2-1-7-4(6)8-3(2)9-10/h1H,10H2,(H,7,8,9)
InChIKeyLFGSHTWQEZQFRW-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.09
Rot. Bonds1

About 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine

5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine (PubChem CID 143899539) has the molecular formula C4H4BrClN3P and a molecular weight of 240.43 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
PubChem CID143899539
Molecular FormulaC4H4BrClN3P
Molecular Weight240.43 g/mol
Exact Mass238.90
IUPAC Name5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
SMILESPNc1nc(Cl)ncc1Br
InChIInChI=1S/C4H4BrClN3P/c5-2-1-7-4(6)8-3(2)9-10/h1H,10H2,(H,7,8,9)
InChIKeyLFGSHTWQEZQFRW-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine 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

5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
5-bromo-2-chloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79076577
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192330
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 58890950
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol
CID 79073506
5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 130908908
5-bromo-2-chloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79073107
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 79075532

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine (CID 143899539) is 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine is PNc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine?
The InChIKey is LFGSHTWQEZQFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrClN3P/c5-2-1-7-4(6)8-3(2)9-10/h1H,10H2,(H,7,8,9).
What are the key properties of 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine?
5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine has a molecular weight of 240.43 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine is sourced from PubChem (CID 143899539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).