3-(3-methylbutyl)-7H-purin-6-imine

C10H15N5 — CID 135435072

IUPAC3-(3-methylbutyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(CCC(C)C)c2nc[nH]c12
InChIInChI=1S/C10H15N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h5-7,11H,3-4H2,1-2H3,(H,12,13)/b11-9-
InChIKeyPXWNCNFAHDUBDL-LUAWRHEFSA-N
MW205.26 g/mol
LogP1.28
Rot. Bonds3

About 3-(3-methylbutyl)-7H-purin-6-imine

3-(3-methylbutyl)-7H-purin-6-imine (PubChem CID 135435072) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(3-methylbutyl)-7H-purin-6-imine.

Molecular Properties

Compound Name3-(3-methylbutyl)-7H-purin-6-imine
PubChem CID135435072
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-(3-methylbutyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(CCC(C)C)c2nc[nH]c12
InChIInChI=1S/C10H15N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h5-7,11H,3-4H2,1-2H3,(H,12,13)/b11-9-
InChIKeyPXWNCNFAHDUBDL-LUAWRHEFSA-N
XLogP1.28
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyladenine
CID 135398661
3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
CID 135438588
9-(n-Butyl)-6-thioguanine
CID 3034500
1,9-Dihydro-9-(1-methylethyl)-6H-purine-6-thione
CID 3034512
9-Ethyl-6-mercaptopurine
CID 3032484
9-(n-Butyl)-6-mercaptopurine
CID 3034171
1-Methyladenine
CID 135398646
Mls000737022
CID 3720751
3-Propyladenine
CID 135435068
3-Ethyladenine
CID 135435067
2-Methyl-6-thiopurine
CID 3037429
1-Ethyladenine
CID 135398554

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-7H-purin-6-imine?
The IUPAC name of 3-(3-methylbutyl)-7H-purin-6-imine (CID 135435072) is 3-(3-methylbutyl)-7H-purin-6-imine.
What is the SMILES notation for 3-(3-methylbutyl)-7H-purin-6-imine?
The canonical SMILES for 3-(3-methylbutyl)-7H-purin-6-imine is [H]/N=c1\ncn(CCC(C)C)c2nc[nH]c12.
What is the InChIKey of 3-(3-methylbutyl)-7H-purin-6-imine?
The InChIKey is PXWNCNFAHDUBDL-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H15N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h5-7,11H,3-4H2,1-2H3,(H,12,13)/b11-9-.
What are the key properties of 3-(3-methylbutyl)-7H-purin-6-imine?
3-(3-methylbutyl)-7H-purin-6-imine has a molecular weight of 205.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-7H-purin-6-imine is sourced from PubChem (CID 135435072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).