1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one

C10H14N6O3 — CID 130402904

IUPAC1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
SMILESNc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)n1N
InChIInChI=1S/C10H14N6O3/c11-10-14-8-7(9(18)16(10)12)13-4-15(8)6-2-1-5(3-17)19-6/h4-6,17H,1-3,12H2,(H2,11,14)/t5-,6+/m0/s1
InChIKeyUDBDVPWPWILBRL-NTSWFWBYSA-N
MW266.26 g/mol
LogP-1.44
Rot. Bonds2

About 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one

1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one (PubChem CID 130402904) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one.

Molecular Properties

Compound Name1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
PubChem CID130402904
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
SMILESNc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)n1N
InChIInChI=1S/C10H14N6O3/c11-10-14-8-7(9(18)16(10)12)13-4-15(8)6-2-1-5(3-17)19-6/h4-6,17H,1-3,12H2,(H2,11,14)/t5-,6+/m0/s1
InChIKeyUDBDVPWPWILBRL-NTSWFWBYSA-N
XLogP-1.44
TPSA134.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
CID 163227421
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
acetylene;[(2S)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
CID 169190113
[(2S,5R)-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol
CID 135258315
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 54315484
2-(ethylideneamino)-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 155804012

Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one?
The IUPAC name of 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one (CID 130402904) is 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one.
What is the SMILES notation for 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one?
The canonical SMILES for 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one is Nc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)n1N.
What is the InChIKey of 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one?
The InChIKey is UDBDVPWPWILBRL-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H14N6O3/c11-10-14-8-7(9(18)16(10)12)13-4-15(8)6-2-1-5(3-17)19-6/h4-6,17H,1-3,12H2,(H2,11,14)/t5-,6+/m0/s1.
What are the key properties of 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one?
1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one has a molecular weight of 266.26 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one is sourced from PubChem (CID 130402904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).