N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide

C10H13ClN4O2 — CID 62047155

IUPACN'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
SMILESCC(=O)NNC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C10H13ClN4O2/c1-5(2)9-12-4-7(11)8(13-9)10(17)15-14-6(3)16/h4-5H,1-3H3,(H,14,16)(H,15,17)
InChIKeyWMJHCUSYJUKAIC-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.03
Rot. Bonds2

About N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide

N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide (PubChem CID 62047155) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
PubChem CID62047155
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC NameN'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
SMILESCC(=O)NNC(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C10H13ClN4O2/c1-5(2)9-12-4-7(11)8(13-9)10(17)15-14-6(3)16/h4-5H,1-3H3,(H,14,16)(H,15,17)
InChIKeyWMJHCUSYJUKAIC-UHFFFAOYSA-N
XLogP1.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 107847429
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62517983
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79249652
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79250102
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 104927396

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide?
The IUPAC name of N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide (CID 62047155) is N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide.
What is the SMILES notation for N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide?
The canonical SMILES for N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide is CC(=O)NNC(=O)c1nc(C(C)C)ncc1Cl.
What is the InChIKey of N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide?
The InChIKey is WMJHCUSYJUKAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-5(2)9-12-4-7(11)8(13-9)10(17)15-14-6(3)16/h4-5H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide?
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide has a molecular weight of 256.69 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 62047155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).