(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol

C11H15N5O4 — CID 135412760

IUPAC(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol
SMILES[H]/N=c1\ncn(C)c2c([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)[nH]nc12
InChIInChI=1S/C11H15N5O4/c1-16-3-13-11(12)6-7(16)5(14-15-6)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,12,17-19H,2H2,1H3,(H,14,15)/b12-11-/t4-,8-,9-,10+/m0/s1
InChIKeyTURDRCAABFMFAK-IKUILPEISA-N
MW281.27 g/mol
LogP-2.07
Rot. Bonds2

About (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol

(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol (PubChem CID 135412760) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol
PubChem CID135412760
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol
SMILES[H]/N=c1\ncn(C)c2c([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)[nH]nc12
InChIInChI=1S/C11H15N5O4/c1-16-3-13-11(12)6-7(16)5(14-15-6)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,12,17-19H,2H2,1H3,(H,14,15)/b12-11-/t4-,8-,9-,10+/m0/s1
InChIKeyTURDRCAABFMFAK-IKUILPEISA-N
XLogP-2.07
TPSA140.27 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-2.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol with MolForge

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Related Compounds

(10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol
CID 135713086
[3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-trimethylazanium
CID 131878000
(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11010914
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol
CID 91746290
5-amino-3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 135011179
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-methyl-1H-imidazol-5-yl)oxolane-3,4-diol
CID 135522006
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione
CID 123727350
(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67171845
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135447112
6-bromo-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 137083859
(2R,3S,4R,5R)-2-(hydroxymethyl)-6-[5-methyl-3-(1H-pyrazol-5-yl)-1H-pyrazol-4-yl]oxane-3,4,5-triol
CID 175538198
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 118005028

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol (CID 135412760) is (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol is [H]/N=c1\ncn(C)c2c([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)[nH]nc12.
What is the InChIKey of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol?
The InChIKey is TURDRCAABFMFAK-IKUILPEISA-N. The full InChI is InChI=1S/C11H15N5O4/c1-16-3-13-11(12)6-7(16)5(14-15-6)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,12,17-19H,2H2,1H3,(H,14,15)/b12-11-/t4-,8-,9-,10+/m0/s1.
What are the key properties of (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol has a molecular weight of 281.27 g/mol, XLogP of -2.07, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol is sourced from PubChem (CID 135412760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).