6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine

C13H22N6 — CID 114784070

IUPAC6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(NCC(C)(C)C)c2[nH]cnc2n1
InChIInChI=1S/C13H22N6/c1-5-6-14-12-18-10(15-7-13(2,3)4)9-11(19-12)17-8-16-9/h8H,5-7H2,1-4H3,(H3,14,15,16,17,18,19)
InChIKeyXKCMHCWZLMPHNK-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.63
Rot. Bonds5

About 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine

6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine (PubChem CID 114784070) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
PubChem CID114784070
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(NCC(C)(C)C)c2[nH]cnc2n1
InChIInChI=1S/C13H22N6/c1-5-6-14-12-18-10(15-7-13(2,3)4)9-11(19-12)17-8-16-9/h8H,5-7H2,1-4H3,(H3,14,15,16,17,18,19)
InChIKeyXKCMHCWZLMPHNK-UHFFFAOYSA-N
XLogP2.63
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
2-methyl-2-[[2-(propylamino)-7H-purin-6-yl]amino]propane-1,3-diol
CID 114785802
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114785405
3-methyl-3-[[2-(propylamino)-7H-purin-6-yl]amino]butanamide
CID 106098807
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
3-[[[2-(propylamino)-7H-purin-6-yl]amino]methyl]cyclobutan-1-ol
CID 114785534
2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418
2-hydroxy-3-[[2-(propylamino)-7H-purin-6-yl]amino]propanamide
CID 106179008
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785089

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine (CID 114784070) is 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(NCC(C)(C)C)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine?
The InChIKey is XKCMHCWZLMPHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-5-6-14-12-18-10(15-7-13(2,3)4)9-11(19-12)17-8-16-9/h8H,5-7H2,1-4H3,(H3,14,15,16,17,18,19).
What are the key properties of 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine?
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine has a molecular weight of 262.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114784070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).