N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide

C8H7ClN6O2 — CID 155272558

IUPACN-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide
SMILESNc1nc(Cl)cc(N(N)C(=O)c2ncco2)n1
InChIInChI=1S/C8H7ClN6O2/c9-4-3-5(14-8(10)13-4)15(11)7(16)6-12-1-2-17-6/h1-3H,11H2,(H2,10,13,14)
InChIKeyJIOMXKCZEWXMRD-UHFFFAOYSA-N
MW254.64 g/mol
LogP0.22
Rot. Bonds2

About N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide

N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide (PubChem CID 155272558) has the molecular formula C8H7ClN6O2 and a molecular weight of 254.64 g/mol. Its IUPAC name is N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide.

Molecular Properties

Compound NameN-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide
PubChem CID155272558
Molecular FormulaC8H7ClN6O2
Molecular Weight254.64 g/mol
Exact Mass254.03
IUPAC NameN-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide
SMILESNc1nc(Cl)cc(N(N)C(=O)c2ncco2)n1
InChIInChI=1S/C8H7ClN6O2/c9-4-3-5(14-8(10)13-4)15(11)7(16)6-12-1-2-17-6/h1-3H,11H2,(H2,10,13,14)
InChIKeyJIOMXKCZEWXMRD-UHFFFAOYSA-N
XLogP0.22
TPSA124.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide?
The IUPAC name of N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide (CID 155272558) is N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide.
What is the SMILES notation for N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide?
The canonical SMILES for N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide is Nc1nc(Cl)cc(N(N)C(=O)c2ncco2)n1.
What is the InChIKey of N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide?
The InChIKey is JIOMXKCZEWXMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN6O2/c9-4-3-5(14-8(10)13-4)15(11)7(16)6-12-1-2-17-6/h1-3H,11H2,(H2,10,13,14).
What are the key properties of N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide?
N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide has a molecular weight of 254.64 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide is sourced from PubChem (CID 155272558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).