N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine

C25H38N10 — CID 129151811

IUPACN-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine
SMILESCC[C@](C)(Nc1ncnc2nc(CC(C)[C@@H](Nc3ncnc4nc[nH]c34)C(C)(C)C)[nH]c12)C(C)C
InChIInChI=1S/C25H38N10/c1-9-25(8,14(2)3)35-23-18-22(30-13-31-23)33-16(32-18)10-15(4)19(24(5,6)7)34-21-17-20(27-11-26-17)28-12-29-21/h11-15,19H,9-10H2,1-8H3,(H2,26,27,28,29,34)(H2,30,31,32,33,35)/t15?,19-,25+/m1/s1
InChIKeyXHSCQDOELFIJND-GQYSBEPZSA-N
MW478.65 g/mol
LogP4.96
Rot. Bonds9

About N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine

N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine (PubChem CID 129151811) has the molecular formula C25H38N10 and a molecular weight of 478.65 g/mol. Its IUPAC name is N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine
PubChem CID129151811
Molecular FormulaC25H38N10
Molecular Weight478.65 g/mol
Exact Mass478.33
IUPAC NameN-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine
SMILESCC[C@](C)(Nc1ncnc2nc(CC(C)[C@@H](Nc3ncnc4nc[nH]c34)C(C)(C)C)[nH]c12)C(C)C
InChIInChI=1S/C25H38N10/c1-9-25(8,14(2)3)35-23-18-22(30-13-31-23)33-16(32-18)10-15(4)19(24(5,6)7)34-21-17-20(27-11-26-17)28-12-29-21/h11-15,19H,9-10H2,1-8H3,(H2,26,27,28,29,34)(H2,30,31,32,33,35)/t15?,19-,25+/m1/s1
InChIKeyXHSCQDOELFIJND-GQYSBEPZSA-N
XLogP4.96
TPSA132.98 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.65
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine
CID 129151813
N-(3-ethyl-2,4-dimethylpentan-3-yl)-7H-purin-6-amine
CID 131972661
8-fluoro-N-[(3S)-2,2,4-trimethylpentan-3-yl]-7H-purin-6-amine
CID 58008910
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine
CID 69097613
N-(1-chloro-3-methylpentan-3-yl)-7H-purin-6-amine
CID 106167718
N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
CID 123305094
1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
CID 131875514
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine?
The IUPAC name of N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine (CID 129151811) is N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine?
The canonical SMILES for N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine is CC[C@](C)(Nc1ncnc2nc(CC(C)[C@@H](Nc3ncnc4nc[nH]c34)C(C)(C)C)[nH]c12)C(C)C.
What is the InChIKey of N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine?
The InChIKey is XHSCQDOELFIJND-GQYSBEPZSA-N. The full InChI is InChI=1S/C25H38N10/c1-9-25(8,14(2)3)35-23-18-22(30-13-31-23)33-16(32-18)10-15(4)19(24(5,6)7)34-21-17-20(27-11-26-17)28-12-29-21/h11-15,19H,9-10H2,1-8H3,(H2,26,27,28,29,34)(H2,30,31,32,33,35)/t15?,19-,25+/m1/s1.
What are the key properties of N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine?
N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine has a molecular weight of 478.65 g/mol, XLogP of 4.96, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,3-dimethylpentan-3-yl]-8-[(3R)-2,4,4-trimethyl-3-(7H-purin-6-ylamino)pentyl]-7H-purin-6-amine is sourced from PubChem (CID 129151811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).