N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine

C13H19N5O — CID 95971222

IUPACN-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine
SMILESCO[C@@]1(C)C[C@@H](Nc2ncnc3nc[nH]c23)C1(C)C
InChIInChI=1S/C13H19N5O/c1-12(2)8(5-13(12,3)19-4)18-11-9-10(15-6-14-9)16-7-17-11/h6-8H,5H2,1-4H3,(H2,14,15,16,17,18)/t8-,13+/m1/s1
InChIKeyDUHMXAMFXYLEAH-OQPBUACISA-N
MW261.33 g/mol
LogP1.97
Rot. Bonds3

About N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine

N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine (PubChem CID 95971222) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine
PubChem CID95971222
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine
SMILESCO[C@@]1(C)C[C@@H](Nc2ncnc3nc[nH]c23)C1(C)C
InChIInChI=1S/C13H19N5O/c1-12(2)8(5-13(12,3)19-4)18-11-9-10(15-6-14-9)16-7-17-11/h6-8H,5H2,1-4H3,(H2,14,15,16,17,18)/t8-,13+/m1/s1
InChIKeyDUHMXAMFXYLEAH-OQPBUACISA-N
XLogP1.97
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
CID 167769299
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile
CID 95971216
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
CID 140997133
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
CID 61233310
2-(7H-purin-6-ylamino)cyclohexane-1-thiol
CID 518195
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
3-methyl-1-(7H-purin-6-ylamino)cyclohexane-1-carboxylic acid
CID 61292392
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 103753762

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine?
The IUPAC name of N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine (CID 95971222) is N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine is CO[C@@]1(C)C[C@@H](Nc2ncnc3nc[nH]c23)C1(C)C.
What is the InChIKey of N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine?
The InChIKey is DUHMXAMFXYLEAH-OQPBUACISA-N. The full InChI is InChI=1S/C13H19N5O/c1-12(2)8(5-13(12,3)19-4)18-11-9-10(15-6-14-9)16-7-17-11/h6-8H,5H2,1-4H3,(H2,14,15,16,17,18)/t8-,13+/m1/s1.
What are the key properties of N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine?
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine has a molecular weight of 261.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine is sourced from PubChem (CID 95971222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).