N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine

C13H21N5 — CID 129151813

IUPACN-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine
SMILESCCC(CC)(Nc1ncnc2nc[nH]c12)C(C)C
InChIInChI=1S/C13H21N5/c1-5-13(6-2,9(3)4)18-12-10-11(15-7-14-10)16-8-17-12/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyMYNNAGBVJIOPNM-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.98
Rot. Bonds5

About N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine

N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine (PubChem CID 129151813) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine
PubChem CID129151813
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine
SMILESCCC(CC)(Nc1ncnc2nc[nH]c12)C(C)C
InChIInChI=1S/C13H21N5/c1-5-13(6-2,9(3)4)18-12-10-11(15-7-14-10)16-8-17-12/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyMYNNAGBVJIOPNM-UHFFFAOYSA-N
XLogP2.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethyl-2,4-dimethylpentan-3-yl)-7H-purin-6-amine
CID 131972661
N-(1-chloro-3-methylpentan-3-yl)-7H-purin-6-amine
CID 106167718
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
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
CID 123305094
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
N-(7H-purin-6-yl)hydroxylamine
CID 21876

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine?
The IUPAC name of N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine (CID 129151813) is N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine?
The canonical SMILES for N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine is CCC(CC)(Nc1ncnc2nc[nH]c12)C(C)C.
What is the InChIKey of N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine?
The InChIKey is MYNNAGBVJIOPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-13(6-2,9(3)4)18-12-10-11(15-7-14-10)16-8-17-12/h7-9H,5-6H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine?
N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine has a molecular weight of 247.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine is sourced from PubChem (CID 129151813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).