N-butyl-7H-purin-6-amine;ethane

C11H19N5 — CID 154667457

IUPACN-butyl-7H-purin-6-amine;ethane
SMILESCC.CCCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5.C2H6/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8;1-2/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14);1-2H3
InChIKeyCHDLYBVKPDLSGP-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.59
Rot. Bonds4

About N-butyl-7H-purin-6-amine;ethane

N-butyl-7H-purin-6-amine;ethane (PubChem CID 154667457) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-butyl-7H-purin-6-amine;ethane.

Molecular Properties

Compound NameN-butyl-7H-purin-6-amine;ethane
PubChem CID154667457
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN-butyl-7H-purin-6-amine;ethane
SMILESCC.CCCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5.C2H6/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8;1-2/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14);1-2H3
InChIKeyCHDLYBVKPDLSGP-UHFFFAOYSA-N
XLogP2.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-7H-purin-6-amine
CID 64530053
(7H-purin-6-ylamino)methanol
CID 86209273
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-chloro-7H-purine
CID 165069185
N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine
CID 113412966
N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 66632887
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-(2,2-dimethoxypropyl)-7H-purin-6-amine
CID 139625079

Frequently Asked Questions

What is the IUPAC name of N-butyl-7H-purin-6-amine;ethane?
The IUPAC name of N-butyl-7H-purin-6-amine;ethane (CID 154667457) is N-butyl-7H-purin-6-amine;ethane.
What is the SMILES notation for N-butyl-7H-purin-6-amine;ethane?
The canonical SMILES for N-butyl-7H-purin-6-amine;ethane is CC.CCCCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-butyl-7H-purin-6-amine;ethane?
The InChIKey is CHDLYBVKPDLSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5.C2H6/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8;1-2/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14);1-2H3.
What are the key properties of N-butyl-7H-purin-6-amine;ethane?
N-butyl-7H-purin-6-amine;ethane has a molecular weight of 221.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7H-purin-6-amine;ethane is sourced from PubChem (CID 154667457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).