N'-acetyl-6-methylpyrimidine-4-carbohydrazide

C8H10N4O2 — CID 142352273

IUPACN'-acetyl-6-methylpyrimidine-4-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc(C)ncn1
InChIInChI=1S/C8H10N4O2/c1-5-3-7(10-4-9-5)8(14)12-11-6(2)13/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyIXKCKIUJALVPDQ-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.43
Rot. Bonds1

About N'-acetyl-6-methylpyrimidine-4-carbohydrazide

N'-acetyl-6-methylpyrimidine-4-carbohydrazide (PubChem CID 142352273) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N'-acetyl-6-methylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-6-methylpyrimidine-4-carbohydrazide
PubChem CID142352273
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN'-acetyl-6-methylpyrimidine-4-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc(C)ncn1
InChIInChI=1S/C8H10N4O2/c1-5-3-7(10-4-9-5)8(14)12-11-6(2)13/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyIXKCKIUJALVPDQ-UHFFFAOYSA-N
XLogP-0.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-acetyl-6-methylpyrimidine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-6-methylpyrimidine-4-carbohydrazide?
The IUPAC name of N'-acetyl-6-methylpyrimidine-4-carbohydrazide (CID 142352273) is N'-acetyl-6-methylpyrimidine-4-carbohydrazide.
What is the SMILES notation for N'-acetyl-6-methylpyrimidine-4-carbohydrazide?
The canonical SMILES for N'-acetyl-6-methylpyrimidine-4-carbohydrazide is CC(=O)NNC(=O)c1cc(C)ncn1.
What is the InChIKey of N'-acetyl-6-methylpyrimidine-4-carbohydrazide?
The InChIKey is IXKCKIUJALVPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-5-3-7(10-4-9-5)8(14)12-11-6(2)13/h3-4H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N'-acetyl-6-methylpyrimidine-4-carbohydrazide?
N'-acetyl-6-methylpyrimidine-4-carbohydrazide has a molecular weight of 194.19 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-6-methylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 142352273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).