2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide

C6H8ClN5O — CID 21141047

IUPAC2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide
SMILESNNC(=O)Cc1ncnc(Cl)c1N
InChIInChI=1S/C6H8ClN5O/c7-6-5(8)3(10-2-11-6)1-4(13)12-9/h2H,1,8-9H2,(H,12,13)
InChIKeyQHRAUSQBHVEAGH-UHFFFAOYSA-N
MW201.62 g/mol
LogP-0.76
Rot. Bonds2

About 2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide

2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide (PubChem CID 21141047) has the molecular formula C6H8ClN5O and a molecular weight of 201.62 g/mol. Its IUPAC name is 2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide
PubChem CID21141047
Molecular FormulaC6H8ClN5O
Molecular Weight201.62 g/mol
Exact Mass201.04
IUPAC Name2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide
SMILESNNC(=O)Cc1ncnc(Cl)c1N
InChIInChI=1S/C6H8ClN5O/c7-6-5(8)3(10-2-11-6)1-4(13)12-9/h2H,1,8-9H2,(H,12,13)
InChIKeyQHRAUSQBHVEAGH-UHFFFAOYSA-N
XLogP-0.76
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.62
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide?
The IUPAC name of 2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide (CID 21141047) is 2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide.
What is the SMILES notation for 2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide?
The canonical SMILES for 2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide is NNC(=O)Cc1ncnc(Cl)c1N.
What is the InChIKey of 2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide?
The InChIKey is QHRAUSQBHVEAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN5O/c7-6-5(8)3(10-2-11-6)1-4(13)12-9/h2H,1,8-9H2,(H,12,13).
What are the key properties of 2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide?
2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide has a molecular weight of 201.62 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide is sourced from PubChem (CID 21141047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).