6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine

C11H18N6 — CID 67950737

IUPAC6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
SMILESCC[C@@H](Nc1nc(N)nc2nc[nH]c12)C(C)C
InChIInChI=1S/C11H18N6/c1-4-7(6(2)3)15-10-8-9(14-5-13-8)16-11(12)17-10/h5-7H,4H2,1-3H3,(H4,12,13,14,15,16,17)/t7-/m1/s1
InChIKeyCOOPGBMKVGILIM-SSDOTTSWSA-N
MW234.31 g/mol
LogP1.78
Rot. Bonds4

About 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine

6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine (PubChem CID 67950737) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
PubChem CID67950737
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
SMILESCC[C@@H](Nc1nc(N)nc2nc[nH]c12)C(C)C
InChIInChI=1S/C11H18N6/c1-4-7(6(2)3)15-10-8-9(14-5-13-8)16-11(12)17-10/h5-7H,4H2,1-3H3,(H4,12,13,14,15,16,17)/t7-/m1/s1
InChIKeyCOOPGBMKVGILIM-SSDOTTSWSA-N
XLogP1.78
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
CID 123369608
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine
CID 114785367
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-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197
2-[(2-chloro-7H-purin-6-yl)amino]-3-methylbutan-1-ol
CID 104697768
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114785590
(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114986392

Frequently Asked Questions

What is the IUPAC name of 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine (CID 67950737) is 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine is CC[C@@H](Nc1nc(N)nc2nc[nH]c12)C(C)C.
What is the InChIKey of 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine?
The InChIKey is COOPGBMKVGILIM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18N6/c1-4-7(6(2)3)15-10-8-9(14-5-13-8)16-11(12)17-10/h5-7H,4H2,1-3H3,(H4,12,13,14,15,16,17)/t7-/m1/s1.
What are the key properties of 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine?
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine has a molecular weight of 234.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine is sourced from PubChem (CID 67950737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).