(2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone

C14H13BrN6O2 — CID 141225953

IUPAC(2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone
SMILESCOc1cnc(C(=O)n2cnc3c(Br)nc(N)nc32)c(C)c1C
InChIInChI=1S/C14H13BrN6O2/c1-6-7(2)9(17-4-8(6)23-3)13(22)21-5-18-10-11(15)19-14(16)20-12(10)21/h4-5H,1-3H3,(H2,16,19,20)
InChIKeyHUQXKGWGHKSATJ-UHFFFAOYSA-N
MW377.20 g/mol
LogP1.88
Rot. Bonds2

About (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone

(2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone (PubChem CID 141225953) has the molecular formula C14H13BrN6O2 and a molecular weight of 377.20 g/mol. Its IUPAC name is (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone
PubChem CID141225953
Molecular FormulaC14H13BrN6O2
Molecular Weight377.20 g/mol
Exact Mass376.03
IUPAC Name(2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone
SMILESCOc1cnc(C(=O)n2cnc3c(Br)nc(N)nc32)c(C)c1C
InChIInChI=1S/C14H13BrN6O2/c1-6-7(2)9(17-4-8(6)23-3)13(22)21-5-18-10-11(15)19-14(16)20-12(10)21/h4-5H,1-3H3,(H2,16,19,20)
InChIKeyHUQXKGWGHKSATJ-UHFFFAOYSA-N
XLogP1.88
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone 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-amino-6-chloropurin-9-yl)-(5-chloro-3,4-dimethyl-2-pyridinyl)methanone
CID 141225946
6-bromo-9-[(3,4,5-trimethoxy-2-methylphenyl)methyl]purin-2-amine;ethane
CID 143021258
6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol
CID 143429711
7-bromo-3-[(3,4,5-trimethoxy-2-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 89371713
6-bromo-9-[(3-chloro-4,5,6-trimethoxy-2-pyridinyl)methyl]purin-2-amine
CID 89338096
9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine
CID 163877048
6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane
CID 143429632
7-bromo-3-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 89371709
2-[(2-amino-6-bromopurin-9-yl)methoxy]ethyl-dimethylsulfanium
CID 149091629
2-amino-5-methoxypyrimidine-4-carboxylic acid
CID 83816093
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine
CID 143429732
methyl 2-amino-4-bromopyrimidine-5-carboxylate
CID 131422856

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone?
The IUPAC name of (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone (CID 141225953) is (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone.
What is the SMILES notation for (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone?
The canonical SMILES for (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone is COc1cnc(C(=O)n2cnc3c(Br)nc(N)nc32)c(C)c1C.
What is the InChIKey of (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone?
The InChIKey is HUQXKGWGHKSATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6O2/c1-6-7(2)9(17-4-8(6)23-3)13(22)21-5-18-10-11(15)19-14(16)20-12(10)21/h4-5H,1-3H3,(H2,16,19,20).
What are the key properties of (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone?
(2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone has a molecular weight of 377.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone is sourced from PubChem (CID 141225953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).