(3S)-2-(7H-purin-6-yl)oxolan-3-amine

C9H11N5O — CID 86585157

IUPAC(3S)-2-(7H-purin-6-yl)oxolan-3-amine
SMILESN[C@H]1CCOC1c1ncnc2nc[nH]c12
InChIInChI=1S/C9H11N5O/c10-5-1-2-15-8(5)6-7-9(13-3-11-6)14-4-12-7/h3-5,8H,1-2,10H2,(H,11,12,13,14)/t5-,8?/m0/s1
InChIKeyFWMUBGAYBMDTGP-NTFOPCPOSA-N
MW205.22 g/mol
LogP0.14
Rot. Bonds1

About (3S)-2-(7H-purin-6-yl)oxolan-3-amine

(3S)-2-(7H-purin-6-yl)oxolan-3-amine (PubChem CID 86585157) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (3S)-2-(7H-purin-6-yl)oxolan-3-amine.

Molecular Properties

Compound Name(3S)-2-(7H-purin-6-yl)oxolan-3-amine
PubChem CID86585157
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(3S)-2-(7H-purin-6-yl)oxolan-3-amine
SMILESN[C@H]1CCOC1c1ncnc2nc[nH]c12
InChIInChI=1S/C9H11N5O/c10-5-1-2-15-8(5)6-7-9(13-3-11-6)14-4-12-7/h3-5,8H,1-2,10H2,(H,11,12,13,14)/t5-,8?/m0/s1
InChIKeyFWMUBGAYBMDTGP-NTFOPCPOSA-N
XLogP0.14
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine
CID 103863975
6-pyrrolidin-3-yl-7H-purine
CID 82404474
[2-(7H-purin-6-yl)cyclopropyl]methanol
CID 74347683
2-[3-(7H-purin-6-yl)aziridin-2-yl]ethanamine
CID 146917967
3-(7H-purin-6-yloxy)cyclopentan-1-amine
CID 79465933
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
CID 67796265
CID 67796265
7H-purin-6-amine;hydrochloride
CID 169432832
N-methyl-N-(oxan-4-yl)-7H-purin-6-amine
CID 155982544
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
6-iodo-7H-purine;oxolane
CID 87739519

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(7H-purin-6-yl)oxolan-3-amine?
The IUPAC name of (3S)-2-(7H-purin-6-yl)oxolan-3-amine (CID 86585157) is (3S)-2-(7H-purin-6-yl)oxolan-3-amine.
What is the SMILES notation for (3S)-2-(7H-purin-6-yl)oxolan-3-amine?
The canonical SMILES for (3S)-2-(7H-purin-6-yl)oxolan-3-amine is N[C@H]1CCOC1c1ncnc2nc[nH]c12.
What is the InChIKey of (3S)-2-(7H-purin-6-yl)oxolan-3-amine?
The InChIKey is FWMUBGAYBMDTGP-NTFOPCPOSA-N. The full InChI is InChI=1S/C9H11N5O/c10-5-1-2-15-8(5)6-7-9(13-3-11-6)14-4-12-7/h3-5,8H,1-2,10H2,(H,11,12,13,14)/t5-,8?/m0/s1.
What are the key properties of (3S)-2-(7H-purin-6-yl)oxolan-3-amine?
(3S)-2-(7H-purin-6-yl)oxolan-3-amine has a molecular weight of 205.22 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(7H-purin-6-yl)oxolan-3-amine is sourced from PubChem (CID 86585157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).