5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol

C7H7N3O — CID 126421907

IUPAC5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol
SMILESOCc1ncnc2c1CC=N2
InChIInChI=1S/C7H7N3O/c11-3-6-5-1-2-8-7(5)10-4-9-6/h2,4,11H,1,3H2
InChIKeyQGFPIVXFGHNTAX-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.23
Rot. Bonds1

About 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol

5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol (PubChem CID 126421907) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol.

Molecular Properties

Compound Name5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol
PubChem CID126421907
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol
SMILESOCc1ncnc2c1CC=N2
InChIInChI=1S/C7H7N3O/c11-3-6-5-1-2-8-7(5)10-4-9-6/h2,4,11H,1,3H2
InChIKeyQGFPIVXFGHNTAX-UHFFFAOYSA-N
XLogP0.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine
CID 125359927
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
[2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-yl]methanol
CID 102953130
(5-nitropyrimidin-4-yl)methanol
CID 130116133
[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
CID 71467179
(2-sulfanylpyrazolo[3,4-d]pyrimidin-4-yl)methanol
CID 67223858
(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
CID 118798143
1-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 155481720
[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride
CID 137332786
(5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)methanol
CID 155310387
(3,5-dimethylpyrazin-2-yl)methanol
CID 71467096
2-(4,6-diethylpyrimidin-5-yl)ethanol
CID 54415725

Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol?
The IUPAC name of 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol (CID 126421907) is 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol.
What is the SMILES notation for 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol?
The canonical SMILES for 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol is OCc1ncnc2c1CC=N2.
What is the InChIKey of 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol?
The InChIKey is QGFPIVXFGHNTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-3-6-5-1-2-8-7(5)10-4-9-6/h2,4,11H,1,3H2.
What are the key properties of 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol?
5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol has a molecular weight of 149.15 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[2,3-d]pyrimidin-4-ylmethanol is sourced from PubChem (CID 126421907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).