2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide

C14H17N5O2 — CID 90002346

IUPAC2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide
SMILESCc1cc(-c2cnc(N)nc2)cc(C)c1OCC(=O)NN
InChIInChI=1S/C14H17N5O2/c1-8-3-10(11-5-17-14(15)18-6-11)4-9(2)13(8)21-7-12(20)19-16/h3-6H,7,16H2,1-2H3,(H,19,20)(H2,15,17,18)
InChIKeyKYPGMXGOOFYMKY-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.71
Rot. Bonds4

About 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide

2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide (PubChem CID 90002346) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide
PubChem CID90002346
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide
SMILESCc1cc(-c2cnc(N)nc2)cc(C)c1OCC(=O)NN
InChIInChI=1S/C14H17N5O2/c1-8-3-10(11-5-17-14(15)18-6-11)4-9(2)13(8)21-7-12(20)19-16/h3-6H,7,16H2,1-2H3,(H,19,20)(H2,15,17,18)
InChIKeyKYPGMXGOOFYMKY-UHFFFAOYSA-N
XLogP0.71
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide?
The IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide (CID 90002346) is 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide?
The canonical SMILES for 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide is Cc1cc(-c2cnc(N)nc2)cc(C)c1OCC(=O)NN.
What is the InChIKey of 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide?
The InChIKey is KYPGMXGOOFYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8-3-10(11-5-17-14(15)18-6-11)4-9(2)13(8)21-7-12(20)19-16/h3-6H,7,16H2,1-2H3,(H,19,20)(H2,15,17,18).
What are the key properties of 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide?
2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide has a molecular weight of 287.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopyrimidin-5-yl)-2,6-dimethylphenoxy]acetohydrazide is sourced from PubChem (CID 90002346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).