CID 136701926

C10H12N5O5 — CID 136701926

IUPAC—
SMILESNc1nc2c(ncn2[C]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H12N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-/m1/s1
InChIKeyLDIDZBKRWAKBLO-UYFOZJQFSA-N
MW282.24 g/mol
LogP-2.85
Rot. Bonds2

About CID 136701926

CID 136701926 (PubChem CID 136701926) has the molecular formula C10H12N5O5 and a molecular weight of 282.24 g/mol.

Molecular Properties

Compound NameCID 136701926
PubChem CID136701926
Molecular FormulaC10H12N5O5
Molecular Weight282.24 g/mol
Exact Mass282.08
IUPAC Name—
SMILESNc1nc2c(ncn2[C]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H12N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-/m1/s1
InChIKeyLDIDZBKRWAKBLO-UYFOZJQFSA-N
XLogP-2.85
TPSA159.51 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 5-2.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-9-[(2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135797824
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-selanyloxolan-2-yl]-1H-purin-6-one
CID 158379218
2-amino-9-[(2S,3S,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 135418169
2-amino-9-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136928994
2-amino-9-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
CID 137067944
bis(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one);carbon monoxide;ruthenium(2+);dichloride
CID 135466942
2-amino-9-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135616173
2-amino-9-[(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135625251
2-amino-9-[(2R,3S,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136597893
selenoguanosine
CID 137242518
2-amino-9-[3-(18F)fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;methane
CID 158119606
2-amino-9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(trifluoromethyl)oxolan-2-yl]-1H-purin-6-one
CID 136967723

Frequently Asked Questions

What is the IUPAC name of CID 136701926?
The IUPAC name of CID 136701926 (CID 136701926) is not available.
What is the SMILES notation for CID 136701926?
The canonical SMILES for CID 136701926 is Nc1nc2c(ncn2[C]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of CID 136701926?
The InChIKey is LDIDZBKRWAKBLO-UYFOZJQFSA-N. The full InChI is InChI=1S/C10H12N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-/m1/s1.
What are the key properties of CID 136701926?
CID 136701926 has a molecular weight of 282.24 g/mol, XLogP of -2.85, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136701926 is sourced from PubChem (CID 136701926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).