(2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol

C12H13N5OS — CID 95775337

IUPAC(2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol
SMILESC[C@](O)(CNc1ncnc2nc[nH]c12)c1ccsc1
InChIInChI=1S/C12H13N5OS/c1-12(18,8-2-3-19-4-8)5-13-10-9-11(15-6-14-9)17-7-16-10/h2-4,6-7,18H,5H2,1H3,(H2,13,14,15,16,17)/t12-/m0/s1
InChIKeyHIBKOMXJBRXUGF-LBPRGKRZSA-N
MW275.34 g/mol
LogP1.73
Rot. Bonds4

About (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol

(2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol (PubChem CID 95775337) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol
PubChem CID95775337
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name(2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol
SMILESC[C@](O)(CNc1ncnc2nc[nH]c12)c1ccsc1
InChIInChI=1S/C12H13N5OS/c1-12(18,8-2-3-19-4-8)5-13-10-9-11(15-6-14-9)17-7-16-10/h2-4,6-7,18H,5H2,1H3,(H2,13,14,15,16,17)/t12-/m0/s1
InChIKeyHIBKOMXJBRXUGF-LBPRGKRZSA-N
XLogP1.73
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethoxypropyl)-7H-purin-6-amine
CID 139625079
(7H-purin-6-ylamino)methanol
CID 86209273
N-(5-chloro-2,2-dimethylpentyl)-7H-purin-6-amine
CID 106142020
N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine
CID 133308417
N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
CID 63859364
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-[(4-bromothiophen-2-yl)methyl]-7H-purin-6-amine
CID 47282308
N-(7H-purin-6-yl)hydroxylamine
CID 21876

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol (CID 95775337) is (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol is C[C@](O)(CNc1ncnc2nc[nH]c12)c1ccsc1.
What is the InChIKey of (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol?
The InChIKey is HIBKOMXJBRXUGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-12(18,8-2-3-19-4-8)5-13-10-9-11(15-6-14-9)17-7-16-10/h2-4,6-7,18H,5H2,1H3,(H2,13,14,15,16,17)/t12-/m0/s1.
What are the key properties of (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol?
(2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol has a molecular weight of 275.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 95775337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).