N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine

C10H15N5 — CID 176527107

IUPACN-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine
SMILESCC(C)=CCNC1=C2NC=NC2NC=N1
InChIInChI=1S/C10H15N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6,10-11H,4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYPYPHTQWMJNHFN-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.30
Rot. Bonds3

About N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine

N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine (PubChem CID 176527107) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine
PubChem CID176527107
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine
SMILESCC(C)=CCNC1=C2NC=NC2NC=N1
InChIInChI=1S/C10H15N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6,10-11H,4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyYPYPHTQWMJNHFN-UHFFFAOYSA-N
XLogP0.30
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine (CID 176527107) is N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine is CC(C)=CCNC1=C2NC=NC2NC=N1.
What is the InChIKey of N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine?
The InChIKey is YPYPHTQWMJNHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6,10-11H,4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine?
N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine has a molecular weight of 205.26 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-4,7-dihydro-3H-purin-6-amine is sourced from PubChem (CID 176527107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).