6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane

C18H27BrN6 — CID 143429632

IUPAC6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane
SMILESCC.CC.Cc1cnc(Cn2cnc3c(Br)nc(N)nc32)c(C)c1C
InChIInChI=1S/C14H15BrN6.2C2H6/c1-7-4-17-10(9(3)8(7)2)5-21-6-18-11-12(15)19-14(16)20-13(11)21;2*1-2/h4,6H,5H2,1-3H3,(H2,16,19,20);2*1-2H3
InChIKeyCZCYRJLZPOWXPO-UHFFFAOYSA-N
MW407.36 g/mol
LogP4.59
Rot. Bonds2

About 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane

6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane (PubChem CID 143429632) has the molecular formula C18H27BrN6 and a molecular weight of 407.36 g/mol. Its IUPAC name is 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane.

Molecular Properties

Compound Name6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane
PubChem CID143429632
Molecular FormulaC18H27BrN6
Molecular Weight407.36 g/mol
Exact Mass406.15
IUPAC Name6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane
SMILESCC.CC.Cc1cnc(Cn2cnc3c(Br)nc(N)nc32)c(C)c1C
InChIInChI=1S/C14H15BrN6.2C2H6/c1-7-4-17-10(9(3)8(7)2)5-21-6-18-11-12(15)19-14(16)20-13(11)21;2*1-2/h4,6H,5H2,1-3H3,(H2,16,19,20);2*1-2H3
InChIKeyCZCYRJLZPOWXPO-UHFFFAOYSA-N
XLogP4.59
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane with MolForge

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Related Compounds

9-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-6-bromopurin-2-amine
CID 163877048
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
6-bromo-9-[(3,4,5-trimethoxy-2-methylphenyl)methyl]purin-2-amine;ethane
CID 143021258
CID 89371651
CID 89371651
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
7-bromo-3-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 89371795
6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-2-amine;methanesulfonic acid
CID 56843312
2-[(2-amino-6-bromopurin-9-yl)methoxy]ethyl-dimethylsulfanium
CID 149091629
1-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-4-chloro-3-ethylpyrazolo[5,4-d]pyrimidin-6-amine;ethane
CID 143429675
4-[2-[[2-amino-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]purin-6-yl]amino]ethyl]phenol
CID 142743814

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane?
The IUPAC name of 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane (CID 143429632) is 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane.
What is the SMILES notation for 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane?
The canonical SMILES for 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane is CC.CC.Cc1cnc(Cn2cnc3c(Br)nc(N)nc32)c(C)c1C.
What is the InChIKey of 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane?
The InChIKey is CZCYRJLZPOWXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6.2C2H6/c1-7-4-17-10(9(3)8(7)2)5-21-6-18-11-12(15)19-14(16)20-13(11)21;2*1-2/h4,6H,5H2,1-3H3,(H2,16,19,20);2*1-2H3.
What are the key properties of 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane?
6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane has a molecular weight of 407.36 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine;ethane is sourced from PubChem (CID 143429632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).