2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol

C12H15N5O4 — CID 21350755

IUPAC2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol
SMILESOCC1OC(n2nc3c4c(ncnc42)NOCC3)CC1O
InChIInChI=1S/C12H15N5O4/c18-4-8-7(19)3-9(21-8)17-12-10-6(15-17)1-2-20-16-11(10)13-5-14-12/h5,7-9,18-19H,1-4H2,(H,13,14,16)
InChIKeyLUCQASIECQKYRI-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.63
Rot. Bonds2

About 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol

2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol (PubChem CID 21350755) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol
PubChem CID21350755
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol
SMILESOCC1OC(n2nc3c4c(ncnc42)NOCC3)CC1O
InChIInChI=1S/C12H15N5O4/c18-4-8-7(19)3-9(21-8)17-12-10-6(15-17)1-2-20-16-11(10)13-5-14-12/h5,7-9,18-19H,1-4H2,(H,13,14,16)
InChIKeyLUCQASIECQKYRI-UHFFFAOYSA-N
XLogP-0.63
TPSA114.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol with MolForge

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Related Compounds

2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 144726695
2-[1-(5-ethyl-4-methyloxolan-2-yl)-4-(hydroxyamino)pyrazolo[3,4-d]pyrimidin-3-yl]ethanol;2-[1-(5-ethyl-4-methyloxolan-2-yl)-4-(hydroxyamino)pyrazolo[3,4-d]pyrimidin-3-yl]ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate;2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol;[[[3-hydroxy-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 159585523
(2R,3S,5R)-5-(4-amino-3-hex-1-ynylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10782729
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14188467
(2S,3R,5R)-5-(6,8-dibromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921424
(2R,3S,5R)-5-[4-amino-3-(1-aminonaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 122204729
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(1,2,4-triazol-4-yl)purin-9-yl]oxolan-3-ol
CID 10902839
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(1,2,4-triazol-4-yl)purin-9-yl]oxolan-3-ol
CID 10494771
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 14410743
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol (CID 21350755) is 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol is OCC1OC(n2nc3c4c(ncnc42)NOCC3)CC1O.
What is the InChIKey of 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol?
The InChIKey is LUCQASIECQKYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c18-4-8-7(19)3-9(21-8)17-12-10-6(15-17)1-2-20-16-11(10)13-5-14-12/h5,7-9,18-19H,1-4H2,(H,13,14,16).
What are the key properties of 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol?
2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol has a molecular weight of 293.28 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(10-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-yl)oxolan-3-ol is sourced from PubChem (CID 21350755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).