6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine

C14H24N6 — CID 123369608

IUPAC6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
SMILESCCCC(C)C(C)C(C)Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C14H24N6/c1-5-6-8(2)9(3)10(4)18-13-11-12(17-7-16-11)19-14(15)20-13/h7-10H,5-6H2,1-4H3,(H4,15,16,17,18,19,20)
InChIKeyLMEQTCIDYXGWOT-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.81
Rot. Bonds6

About 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine

6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine (PubChem CID 123369608) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
PubChem CID123369608
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
SMILESCCCC(C)C(C)C(C)Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C14H24N6/c1-5-6-8(2)9(3)10(4)18-13-11-12(17-7-16-11)19-14(15)20-13/h7-10H,5-6H2,1-4H3,(H4,15,16,17,18,19,20)
InChIKeyLMEQTCIDYXGWOT-UHFFFAOYSA-N
XLogP2.81
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
CID 123305094
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
1-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 104623688
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
CID 141417768
3-[(2-amino-7H-purin-6-yl)amino]-N-hydroxybutanamide
CID 141417771
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine (CID 123369608) is 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine is CCCC(C)C(C)C(C)Nc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine?
The InChIKey is LMEQTCIDYXGWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-5-6-8(2)9(3)10(4)18-13-11-12(17-7-16-11)19-14(15)20-13/h7-10H,5-6H2,1-4H3,(H4,15,16,17,18,19,20).
What are the key properties of 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine?
6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine has a molecular weight of 276.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 123369608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).