4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C14H17N5O2 — CID 135558343

IUPAC4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1cc(C)nc(N/N=C/c2c(CO)cnc(C)c2O)n1
InChIInChI=1S/C14H17N5O2/c1-8-4-9(2)18-14(17-8)19-16-6-12-11(7-20)5-15-10(3)13(12)21/h4-6,20-21H,7H2,1-3H3,(H,17,18,19)/b16-6+
InChIKeyWKDHKJVVHYTRNY-OMCISZLKSA-N
MW287.32 g/mol
LogP1.44
Rot. Bonds4

About 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 135558343) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID135558343
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1cc(C)nc(N/N=C/c2c(CO)cnc(C)c2O)n1
InChIInChI=1S/C14H17N5O2/c1-8-4-9(2)18-14(17-8)19-16-6-12-11(7-20)5-15-10(3)13(12)21/h4-6,20-21H,7H2,1-3H3,(H,17,18,19)/b16-6+
InChIKeyWKDHKJVVHYTRNY-OMCISZLKSA-N
XLogP1.44
TPSA103.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.44
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 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 135558343) is 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1cc(C)nc(N/N=C/c2c(CO)cnc(C)c2O)n1.
What is the InChIKey of 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is WKDHKJVVHYTRNY-OMCISZLKSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8-4-9(2)18-14(17-8)19-16-6-12-11(7-20)5-15-10(3)13(12)21/h4-6,20-21H,7H2,1-3H3,(H,17,18,19)/b16-6+.
What are the key properties of 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 287.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 135558343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).