2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol

C12H16N4O4 — CID 144726695

IUPAC2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
SMILESCOc1ncnc2c1c(C)nn2C1CC(O)C(CO)O1
InChIInChI=1S/C12H16N4O4/c1-6-10-11(13-5-14-12(10)19-2)16(15-6)9-3-7(18)8(4-17)20-9/h5,7-9,17-18H,3-4H2,1-2H3
InChIKeyXPBZGJHKMDWQDF-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.22
Rot. Bonds3

About 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol

2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol (PubChem CID 144726695) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
PubChem CID144726695
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
SMILESCOc1ncnc2c1c(C)nn2C1CC(O)C(CO)O1
InChIInChI=1S/C12H16N4O4/c1-6-10-11(13-5-14-12(10)19-2)16(15-6)9-3-7(18)8(4-17)20-9/h5,7-9,17-18H,3-4H2,1-2H3
InChIKeyXPBZGJHKMDWQDF-UHFFFAOYSA-N
XLogP-0.22
TPSA102.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,5R)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 14410743
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
5-(6-amino-3-iodo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 20614249
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
(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
2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol
CID 14410915
(2S,3R,5R)-5-(2-bromo-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921806
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-5-sulfanylidene-1,2,4-triazin-3-one
CID 175676291
(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-(4-methoxyanilino)purin-9-yl]oxolan-3-ol
CID 11164166

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol (CID 144726695) is 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol is COc1ncnc2c1c(C)nn2C1CC(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol?
The InChIKey is XPBZGJHKMDWQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-6-10-11(13-5-14-12(10)19-2)16(15-6)9-3-7(18)8(4-17)20-9/h5,7-9,17-18H,3-4H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol?
2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol has a molecular weight of 280.28 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol is sourced from PubChem (CID 144726695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).