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

C8H7ClN6O2 — CID 155277327

IUPACN'-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide
SMILESNc1nc(Cl)cc(NNC(=O)c2ncco2)n1
InChIInChI=1S/C8H7ClN6O2/c9-4-3-5(13-8(10)12-4)14-15-6(16)7-11-1-2-17-7/h1-3H,(H,15,16)(H3,10,12,13,14)
InChIKeyVVWURECNRJKFLY-UHFFFAOYSA-N
MW254.64 g/mol
LogP0.46
Rot. Bonds3

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 155277327) 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 CID155277327
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(NNC(=O)c2ncco2)n1
InChIInChI=1S/C8H7ClN6O2/c9-4-3-5(13-8(10)12-4)14-15-6(16)7-11-1-2-17-7/h1-3H,(H,15,16)(H3,10,12,13,14)
InChIKeyVVWURECNRJKFLY-UHFFFAOYSA-N
XLogP0.46
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 155277327) 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(NNC(=O)c2ncco2)n1.
What is the InChIKey of N'-(2-amino-6-chloropyrimidin-4-yl)-1,3-oxazole-2-carbohydrazide?
The InChIKey is VVWURECNRJKFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN6O2/c9-4-3-5(13-8(10)12-4)14-15-6(16)7-11-1-2-17-7/h1-3H,(H,15,16)(H3,10,12,13,14).
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 0.46, 3 rotatable bonds, 3 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 155277327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).