4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine

C15H24BrN5 — CID 80784796

IUPAC4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC2CCN3CCCCC23)n1
InChIInChI=1S/C15H24BrN5/c1-2-7-17-15-18-10-11(16)14(20-15)19-12-6-9-21-8-4-3-5-13(12)21/h10,12-13H,2-9H2,1H3,(H2,17,18,19,20)
InChIKeyJOFQDUBJDJOZHF-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.10
Rot. Bonds5

About 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80784796) has the molecular formula C15H24BrN5 and a molecular weight of 354.30 g/mol. Its IUPAC name is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine
PubChem CID80784796
Molecular FormulaC15H24BrN5
Molecular Weight354.30 g/mol
Exact Mass353.12
IUPAC Name4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NC2CCN3CCCCC23)n1
InChIInChI=1S/C15H24BrN5/c1-2-7-17-15-18-10-11(16)14(20-15)19-12-6-9-21-8-4-3-5-13(12)21/h10,12-13H,2-9H2,1H3,(H2,17,18,19,20)
InChIKeyJOFQDUBJDJOZHF-UHFFFAOYSA-N
XLogP3.10
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80804615
5-bromo-4-N-cyclobutyl-2-N-propylpyrimidine-2,4-diamine
CID 80826452
5-bromo-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80780154
N-(5-bromo-2-chloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79072472
5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114541901
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80807918
N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80904257
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810345
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine (CID 80784796) is 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Br)c(NC2CCN3CCCCC23)n1.
What is the InChIKey of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is JOFQDUBJDJOZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5/c1-2-7-17-15-18-10-11(16)14(20-15)19-12-6-9-21-8-4-3-5-13(12)21/h10,12-13H,2-9H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine?
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 354.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-bromo-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80784796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).