N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine

C10H16N6 — CID 62664479

IUPACN'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H16N6/c1-7(2)11-3-4-12-9-8-10(14-5-13-8)16-6-15-9/h5-7,11H,3-4H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyJVQOLSAXCWWTMU-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.76
Rot. Bonds5

About N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine

N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine (PubChem CID 62664479) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
PubChem CID62664479
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C10H16N6/c1-7(2)11-3-4-12-9-8-10(14-5-13-8)16-6-15-9/h5-7,11H,3-4H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyJVQOLSAXCWWTMU-UHFFFAOYSA-N
XLogP0.76
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
(7H-purin-6-ylamino)methanol
CID 86209273
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
CID 66109410
N-(3-chloro-4-methoxybutyl)-7H-purin-6-amine
CID 106242996
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine (CID 62664479) is N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine is CC(C)NCCNc1ncnc2nc[nH]c12.
What is the InChIKey of N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine?
The InChIKey is JVQOLSAXCWWTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-7(2)11-3-4-12-9-8-10(14-5-13-8)16-6-15-9/h5-7,11H,3-4H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine?
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine has a molecular weight of 220.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 62664479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).