N-but-3-en-2-yl-N-methyl-7H-purin-2-amine

C10H13N5 — CID 139835145

IUPACN-but-3-en-2-yl-N-methyl-7H-purin-2-amine
SMILESC=CC(C)N(C)c1ncc2[nH]cnc2n1
InChIInChI=1S/C10H13N5/c1-4-7(2)15(3)10-11-5-8-9(14-10)13-6-12-8/h4-7H,1H2,2-3H3,(H,11,12,13,14)
InChIKeyIKAGPCWWGGHFMG-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.36
Rot. Bonds3

About N-but-3-en-2-yl-N-methyl-7H-purin-2-amine

N-but-3-en-2-yl-N-methyl-7H-purin-2-amine (PubChem CID 139835145) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-but-3-en-2-yl-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-N-methyl-7H-purin-2-amine
PubChem CID139835145
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-but-3-en-2-yl-N-methyl-7H-purin-2-amine
SMILESC=CC(C)N(C)c1ncc2[nH]cnc2n1
InChIInChI=1S/C10H13N5/c1-4-7(2)15(3)10-11-5-8-9(14-10)13-6-12-8/h4-7H,1H2,2-3H3,(H,11,12,13,14)
InChIKeyIKAGPCWWGGHFMG-UHFFFAOYSA-N
XLogP1.36
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-but-3-en-2-yl-N-methyl-7H-purin-2-amine?
The IUPAC name of N-but-3-en-2-yl-N-methyl-7H-purin-2-amine (CID 139835145) is N-but-3-en-2-yl-N-methyl-7H-purin-2-amine.
What is the SMILES notation for N-but-3-en-2-yl-N-methyl-7H-purin-2-amine?
The canonical SMILES for N-but-3-en-2-yl-N-methyl-7H-purin-2-amine is C=CC(C)N(C)c1ncc2[nH]cnc2n1.
What is the InChIKey of N-but-3-en-2-yl-N-methyl-7H-purin-2-amine?
The InChIKey is IKAGPCWWGGHFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-4-7(2)15(3)10-11-5-8-9(14-10)13-6-12-8/h4-7H,1H2,2-3H3,(H,11,12,13,14).
What are the key properties of N-but-3-en-2-yl-N-methyl-7H-purin-2-amine?
N-but-3-en-2-yl-N-methyl-7H-purin-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 139835145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).