9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine

C13H14BrN7 — CID 163877048

IUPAC9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine
SMILESCc1cnc(Cn2cnc3c(Br)nc(N)nc32)c(C)c1N
InChIInChI=1S/C13H14BrN7/c1-6-3-17-8(7(2)9(6)15)4-21-5-18-10-11(14)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,15,17)(H2,16,19,20)
InChIKeyPPUHKLCLTQAPOE-UHFFFAOYSA-N
MW348.21 g/mol
LogP1.81
Rot. Bonds2

About 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine

9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine (PubChem CID 163877048) has the molecular formula C13H14BrN7 and a molecular weight of 348.21 g/mol. Its IUPAC name is 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine.

Molecular Properties

Compound Name9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine
PubChem CID163877048
Molecular FormulaC13H14BrN7
Molecular Weight348.21 g/mol
Exact Mass347.05
IUPAC Name9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine
SMILESCc1cnc(Cn2cnc3c(Br)nc(N)nc32)c(C)c1N
InChIInChI=1S/C13H14BrN7/c1-6-3-17-8(7(2)9(6)15)4-21-5-18-10-11(14)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,15,17)(H2,16,19,20)
InChIKeyPPUHKLCLTQAPOE-UHFFFAOYSA-N
XLogP1.81
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-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

Related Compounds

6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane
CID 143429632
9-[(3,5-dimethyl-4-methylsulfanyl-2-pyridinyl)methyl]-6-iodopurin-2-amine
CID 143429725
6-bromo-9-[(3,5-dimethyl-4-methylsulfanyl-1-oxidopyridin-1-ium-2-yl)methyl]purin-2-amine
CID 58742158
7-bromo-3-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 89371795
6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol
CID 143429711
6-bromo-9-[(3-chloro-4,5,6-trimethoxy-2-pyridinyl)methyl]purin-2-amine
CID 89338096
6-bromo-9-[(3,4,5-trimethoxy-2-methylphenyl)methyl]purin-2-amine;ethane
CID 143021258
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine
CID 103182727
2-[(2-amino-6-bromopurin-9-yl)methoxy]ethyl-dimethylsulfanium
CID 149091629
4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol
CID 142743814
CID 89371651
CID 89371651

Frequently Asked Questions

What is the IUPAC name of 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine?
The IUPAC name of 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine (CID 163877048) is 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine.
What is the SMILES notation for 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine?
The canonical SMILES for 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine is Cc1cnc(Cn2cnc3c(Br)nc(N)nc32)c(C)c1N.
What is the InChIKey of 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine?
The InChIKey is PPUHKLCLTQAPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN7/c1-6-3-17-8(7(2)9(6)15)4-21-5-18-10-11(14)19-13(16)20-12(10)21/h3,5H,4H2,1-2H3,(H2,15,17)(H2,16,19,20).
What are the key properties of 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine?
9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine has a molecular weight of 348.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine is sourced from PubChem (CID 163877048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).