6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol

C15H19BrN6O2 — CID 143429711

IUPAC6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol
SMILESCO.COc1c(C)ncc(Cn2cnc3c(Br)nc(N)nc32)c1C
InChIInChI=1S/C14H15BrN6O.CH4O/c1-7-9(4-17-8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21;1-2/h4,6H,5H2,1-3H3,(H2,16,19,20);2H,1H3
InChIKeyWLDQTEIYUFFBJF-UHFFFAOYSA-N
MW395.26 g/mol
LogP1.85
Rot. Bonds3

About 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol

6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol (PubChem CID 143429711) has the molecular formula C15H19BrN6O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol.

Molecular Properties

Compound Name6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol
PubChem CID143429711
Molecular FormulaC15H19BrN6O2
Molecular Weight395.26 g/mol
Exact Mass394.08
IUPAC Name6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol
SMILESCO.COc1c(C)ncc(Cn2cnc3c(Br)nc(N)nc32)c1C
InChIInChI=1S/C14H15BrN6O.CH4O/c1-7-9(4-17-8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21;1-2/h4,6H,5H2,1-3H3,(H2,16,19,20);2H,1H3
InChIKeyWLDQTEIYUFFBJF-UHFFFAOYSA-N
XLogP1.85
TPSA111.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol 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-trimethoxy-2-methylphenyl)methyl]purin-2-amine;ethane
CID 143021258
7-bromo-3-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 89371709
7-[(4-amino-5-methoxy-6-methyl-3-pyridinyl)methyl]-4-bromopyrrolo[2,3-d]pyrimidin-2-amine
CID 143021125
6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
CID 89371902
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
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine
CID 143429732
6-chloro-9-[(3,5-dimethoxy-2,4-dimethylphenyl)methyl]purin-2-amine;ethane
CID 143429731
4-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-yn-1-ol
CID 11950513
(2-amino-6-bromopurin-9-yl)-(5-methoxy-3,4-dimethyl-2-pyridinyl)methanone
CID 141225953
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol?
The IUPAC name of 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol (CID 143429711) is 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol.
What is the SMILES notation for 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol?
The canonical SMILES for 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol is CO.COc1c(C)ncc(Cn2cnc3c(Br)nc(N)nc32)c1C.
What is the InChIKey of 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol?
The InChIKey is WLDQTEIYUFFBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6O.CH4O/c1-7-9(4-17-8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21;1-2/h4,6H,5H2,1-3H3,(H2,16,19,20);2H,1H3.
What are the key properties of 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol?
6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol has a molecular weight of 395.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol is sourced from PubChem (CID 143429711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).