5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol

C12H13N5O2 — CID 135415135

IUPAC5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ncccn2)c1O
InChIInChI=1S/C12H13N5O2/c1-8-11(19)10(9(7-18)5-15-8)6-16-17-12-13-3-2-4-14-12/h2-6,18-19H,7H2,1H3,(H,13,14,17)/b16-6+
InChIKeyAQXFBKWABRBZRC-OMCISZLKSA-N
MW259.27 g/mol
LogP0.82
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol (PubChem CID 135415135) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol
PubChem CID135415135
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ncccn2)c1O
InChIInChI=1S/C12H13N5O2/c1-8-11(19)10(9(7-18)5-15-8)6-16-17-12-13-3-2-4-14-12/h2-6,18-19H,7H2,1H3,(H,13,14,17)/b16-6+
InChIKeyAQXFBKWABRBZRC-OMCISZLKSA-N
XLogP0.82
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol (CID 135415135) is 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/Nc2ncccn2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
The InChIKey is AQXFBKWABRBZRC-OMCISZLKSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-8-11(19)10(9(7-18)5-15-8)6-16-17-12-13-3-2-4-14-12/h2-6,18-19H,7H2,1H3,(H,13,14,17)/b16-6+.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol has a molecular weight of 259.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol is sourced from PubChem (CID 135415135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).