N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine

C10H13N5 — CID 154596530

IUPACN-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine
SMILESC/C=C/CNc1nc(C)nc2nc[nH]c12
InChIInChI=1S/C10H13N5/c1-3-4-5-11-9-8-10(13-6-12-8)15-7(2)14-9/h3-4,6H,5H2,1-2H3,(H2,11,12,13,14,15)/b4-3+
InChIKeyDFYALVQPPJRBJM-ONEGZZNKSA-N
MW203.25 g/mol
LogP1.65
Rot. Bonds3

About N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine

N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine (PubChem CID 154596530) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine
PubChem CID154596530
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine
SMILESC/C=C/CNc1nc(C)nc2nc[nH]c12
InChIInChI=1S/C10H13N5/c1-3-4-5-11-9-8-10(13-6-12-8)15-7(2)14-9/h3-4,6H,5H2,1-2H3,(H2,11,12,13,14,15)/b4-3+
InChIKeyDFYALVQPPJRBJM-ONEGZZNKSA-N
XLogP1.65
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
CID 154596531
2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine
CID 118317169
N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
CID 67967892
N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane
CID 142220729
6-ethyl-2-methyl-7H-purine
CID 176927465
2,2,3,3-tetramethyl-4-[(2-methyl-7H-purin-6-yl)amino]-4-oxobutanoic acid
CID 166106695
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
(2-methyl-7H-purin-6-yl)azanide;tungsten
CID 58774197
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine?
The IUPAC name of N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine (CID 154596530) is N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine is C/C=C/CNc1nc(C)nc2nc[nH]c12.
What is the InChIKey of N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine?
The InChIKey is DFYALVQPPJRBJM-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H13N5/c1-3-4-5-11-9-8-10(13-6-12-8)15-7(2)14-9/h3-4,6H,5H2,1-2H3,(H2,11,12,13,14,15)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine?
N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine has a molecular weight of 203.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine is sourced from PubChem (CID 154596530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).