2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane

C12H21N5O2 — CID 143654255

IUPAC2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane
SMILESCC.C[C@@H]1CCC(N2CNc3c2nc(N)[nH]c3=O)O1
InChIInChI=1S/C10H15N5O2.C2H6/c1-5-2-3-6(17-5)15-4-12-7-8(15)13-10(11)14-9(7)16;1-2/h5-6,12H,2-4H2,1H3,(H3,11,13,14,16);1-2H3/t5-,6?;/m1./s1
InChIKeyOIPHTTSCKZXOOM-VQALBSKCSA-N
MW267.33 g/mol
LogP1.09
Rot. Bonds1

About 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane

2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane (PubChem CID 143654255) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane.

Molecular Properties

Compound Name2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane
PubChem CID143654255
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane
SMILESCC.C[C@@H]1CCC(N2CNc3c2nc(N)[nH]c3=O)O1
InChIInChI=1S/C10H15N5O2.C2H6/c1-5-2-3-6(17-5)15-4-12-7-8(15)13-10(11)14-9(7)16;1-2/h5-6,12H,2-4H2,1H3,(H3,11,13,14,16);1-2H3/t5-,6?;/m1./s1
InChIKeyOIPHTTSCKZXOOM-VQALBSKCSA-N
XLogP1.09
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-7-propyl-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-1H-purine-6,8-dione
CID 156435210
2-amino-9-[(4R)-4-fluoro-5-propyloxolan-2-yl]-7-(3,3,3-trifluoropropyl)-1H-purine-6,8-dione
CID 156435220
2-amino-9-(4-fluoro-5-propyloxolan-2-yl)-7-prop-2-ynyl-1H-purine-6,8-dione
CID 156435314
2-amino-9-[(4R)-4-fluoro-5-propyloxolan-2-yl]-7-propyl-1H-purine-6,8-dione
CID 156435322
2-amino-7-butyl-9-[5-(2,2,2-trifluoroethyl)oxolan-2-yl]-1H-purine-6,8-dione
CID 156747519
2-amino-7-butyl-9-(4-fluoro-5-propyloxolan-2-yl)-1H-purine-6,8-dione
CID 156747532
2-amino-9-(4-fluoro-5-propyloxolan-2-yl)-7-(3,3,3-trifluoropropyl)-1H-purine-6,8-dione
CID 156747540
2-Amino-9-[4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 135708117
2-amino-7-(3-aminoprop-1-ynyl)-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydropurin-6-one
CID 135992586
2-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one
CID 136078468
2-amino-9-[(2R,4S)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 136083151
2-amino-9-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one
CID 136454494

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane?
The IUPAC name of 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane (CID 143654255) is 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane.
What is the SMILES notation for 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane?
The canonical SMILES for 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane is CC.C[C@@H]1CCC(N2CNc3c2nc(N)[nH]c3=O)O1.
What is the InChIKey of 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane?
The InChIKey is OIPHTTSCKZXOOM-VQALBSKCSA-N. The full InChI is InChI=1S/C10H15N5O2.C2H6/c1-5-2-3-6(17-5)15-4-12-7-8(15)13-10(11)14-9(7)16;1-2/h5-6,12H,2-4H2,1H3,(H3,11,13,14,16);1-2H3/t5-,6?;/m1./s1.
What are the key properties of 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane?
2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane has a molecular weight of 267.33 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(5R)-5-methyloxolan-2-yl]-7,8-dihydro-1H-purin-6-one;ethane is sourced from PubChem (CID 143654255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).