2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one

C10H14N6O5 — CID 56986147

IUPAC2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
SMILESNC1=NC(=O)C2(N)N=CN([C@@H]3O[C@H](CO)C(O)C3O)C2=N1
InChIInChI=1S/C10H14N6O5/c11-9-14-7-10(12,8(20)15-9)13-2-16(7)6-5(19)4(18)3(1-17)21-6/h2-6,17-19H,1,12H2,(H2,11,15,20)/t3-,4?,5?,6-,10?/m1/s1
InChIKeyLPNWZMHJLWDCPO-BACCQQSRSA-N
MW298.26 g/mol
LogP-4.32
Rot. Bonds2

About 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one

2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one (PubChem CID 56986147) has the molecular formula C10H14N6O5 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one.

Molecular Properties

Compound Name2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
PubChem CID56986147
Molecular FormulaC10H14N6O5
Molecular Weight298.26 g/mol
Exact Mass298.10
IUPAC Name2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
SMILESNC1=NC(=O)C2(N)N=CN([C@@H]3O[C@H](CO)C(O)C3O)C2=N1
InChIInChI=1S/C10H14N6O5/c11-9-14-7-10(12,8(20)15-9)13-2-16(7)6-5(19)4(18)3(1-17)21-6/h2-6,17-19H,1,12H2,(H2,11,15,20)/t3-,4?,5?,6-,10?/m1/s1
InChIKeyLPNWZMHJLWDCPO-BACCQQSRSA-N
XLogP-4.32
TPSA179.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-4.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3R,4S,5R)-2-(5,6-diamino-2H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67350682
2-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one
CID 91668485
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,5-dimethyl-1H-purin-6-one
CID 175490734
2-[2-amino-2-(carboxymethyl)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-5-yl]acetic acid
CID 175433870
(2R,3R,5S)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094042
(2R,3R,5R)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094040
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purine-6-thione;hydrate
CID 167994108
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-2,5-dimethylpurin-9-yl)oxolane-3,4-diol
CID 174642180
2,8-diamino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one
CID 71304070
4,6-diamino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71410161
(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54568488
4-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-purine-5-carbonyl]benzenesulfonyl fluoride;hydrochloride
CID 122623476

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one?
The IUPAC name of 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one (CID 56986147) is 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one.
What is the SMILES notation for 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one?
The canonical SMILES for 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one is NC1=NC(=O)C2(N)N=CN([C@@H]3O[C@H](CO)C(O)C3O)C2=N1.
What is the InChIKey of 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one?
The InChIKey is LPNWZMHJLWDCPO-BACCQQSRSA-N. The full InChI is InChI=1S/C10H14N6O5/c11-9-14-7-10(12,8(20)15-9)13-2-16(7)6-5(19)4(18)3(1-17)21-6/h2-6,17-19H,1,12H2,(H2,11,15,20)/t3-,4?,5?,6-,10?/m1/s1.
What are the key properties of 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one?
2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one has a molecular weight of 298.26 g/mol, XLogP of -4.32, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one is sourced from PubChem (CID 56986147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).