5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine

C19H18BrN7 — CID 156725852

IUPAC5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine
SMILESCCCNc1ccc(Nc2nccc(-c3cnc4ccc(Br)cn34)n2)cn1
InChIInChI=1S/C19H18BrN7/c1-2-8-21-17-5-4-14(10-23-17)25-19-22-9-7-15(26-19)16-11-24-18-6-3-13(20)12-27(16)18/h3-7,9-12H,2,8H2,1H3,(H,21,23)(H,22,25,26)
InChIKeyOFQWHPSJDSPTFS-UHFFFAOYSA-N
MW424.31 g/mol
LogP4.51
Rot. Bonds6

About 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine

5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine (PubChem CID 156725852) has the molecular formula C19H18BrN7 and a molecular weight of 424.31 g/mol. Its IUPAC name is 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine
PubChem CID156725852
Molecular FormulaC19H18BrN7
Molecular Weight424.31 g/mol
Exact Mass423.08
IUPAC Name5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine
SMILESCCCNc1ccc(Nc2nccc(-c3cnc4ccc(Br)cn34)n2)cn1
InChIInChI=1S/C19H18BrN7/c1-2-8-21-17-5-4-14(10-23-17)25-19-22-9-7-15(26-19)16-11-24-18-6-3-13(20)12-27(16)18/h3-7,9-12H,2,8H2,1H3,(H,21,23)(H,22,25,26)
InChIKeyOFQWHPSJDSPTFS-UHFFFAOYSA-N
XLogP4.51
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine
CID 156725811
4-imidazo[1,2-a]pyridin-3-yl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 57490526
5-N-ethyl-2-N-propylpyridine-2,5-diamine
CID 82104306
4-imidazo[1,2-a]pyridin-5-yl-N-propylpyrimidin-2-amine
CID 102627307
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 57490534
4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 155573015
2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine
CID 114690986
4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80803992
4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde
CID 155572981
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine?
The IUPAC name of 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine (CID 156725852) is 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine is CCCNc1ccc(Nc2nccc(-c3cnc4ccc(Br)cn34)n2)cn1.
What is the InChIKey of 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine?
The InChIKey is OFQWHPSJDSPTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7/c1-2-8-21-17-5-4-14(10-23-17)25-19-22-9-7-15(26-19)16-11-24-18-6-3-13(20)12-27(16)18/h3-7,9-12H,2,8H2,1H3,(H,21,23)(H,22,25,26).
What are the key properties of 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine?
5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine has a molecular weight of 424.31 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-propylpyridine-2,5-diamine is sourced from PubChem (CID 156725852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).