N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine

C9H13N5O — CID 40514758

IUPACN-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
SMILESCOC[C@H](C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-6(3-15-2)14-9-7-8(11-4-10-7)12-5-13-9/h4-6H,3H2,1-2H3,(H2,10,11,12,13,14)/t6-/m0/s1
InChIKeyOKKLXBQHJZAERY-LURJTMIESA-N
MW207.24 g/mol
LogP0.80
Rot. Bonds4

About N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine

N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine (PubChem CID 40514758) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
PubChem CID40514758
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
SMILESCOC[C@H](C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-6(3-15-2)14-9-7-8(11-4-10-7)12-5-13-9/h4-6H,3H2,1-2H3,(H2,10,11,12,13,14)/t6-/m0/s1
InChIKeyOKKLXBQHJZAERY-LURJTMIESA-N
XLogP0.80
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxyhexan-2-yl)-7H-purin-6-amine
CID 133311736
N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
CID 113260882
N-(3-chloro-4-methoxybutyl)-7H-purin-6-amine
CID 106242996
ethyl 4-(7H-purin-6-ylamino)pentanoate
CID 133407098
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
CID 131875514
N-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-7H-purin-6-amine
CID 94432733
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
CID 123305094
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 94145841
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
CID 4136995

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine (CID 40514758) is N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine is COC[C@H](C)Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine?
The InChIKey is OKKLXBQHJZAERY-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N5O/c1-6(3-15-2)14-9-7-8(11-4-10-7)12-5-13-9/h4-6H,3H2,1-2H3,(H2,10,11,12,13,14)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine?
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine has a molecular weight of 207.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine is sourced from PubChem (CID 40514758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).