CID 135030783

C10H12N5O3 — CID 135030783

IUPAC—
SMILES[CH2]C1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H12N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)/t4?,6-,7-,10?/m1/s1
InChIKeyFMJPFPZKXLRBOJ-NYDYUERISA-N
MW250.24 g/mol
LogP-1.14
Rot. Bonds1

About CID 135030783

CID 135030783 (PubChem CID 135030783) has the molecular formula C10H12N5O3 and a molecular weight of 250.24 g/mol.

Molecular Properties

Compound NameCID 135030783
PubChem CID135030783
Molecular FormulaC10H12N5O3
Molecular Weight250.24 g/mol
Exact Mass250.09
IUPAC Name—
SMILES[CH2]C1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H12N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)/t4?,6-,7-,10?/m1/s1
InChIKeyFMJPFPZKXLRBOJ-NYDYUERISA-N
XLogP-1.14
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
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(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol
CID 54068544
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
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Frequently Asked Questions

What is the IUPAC name of CID 135030783?
The IUPAC name of CID 135030783 (CID 135030783) is not available.
What is the SMILES notation for CID 135030783?
The canonical SMILES for CID 135030783 is [CH2]C1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of CID 135030783?
The InChIKey is FMJPFPZKXLRBOJ-NYDYUERISA-N. The full InChI is InChI=1S/C10H12N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)/t4?,6-,7-,10?/m1/s1.
What are the key properties of CID 135030783?
CID 135030783 has a molecular weight of 250.24 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135030783 is sourced from PubChem (CID 135030783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).