5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide

C15H15ClN4O2S — CID 43036852

IUPAC5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
SMILESCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2C)n1
InChIInChI=1S/C15H15ClN4O2S/c1-8-4-5-10(9(2)6-8)13(21)19-20-14(22)12-11(16)7-17-15(18-12)23-3/h4-7H,1-3H3,(H,19,21)(H,20,22)
InChIKeyZIRCLNIULGNTRU-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.54
Rot. Bonds3

About 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide

5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide (PubChem CID 43036852) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
PubChem CID43036852
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
SMILESCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2C)n1
InChIInChI=1S/C15H15ClN4O2S/c1-8-4-5-10(9(2)6-8)13(21)19-20-14(22)12-11(16)7-17-15(18-12)23-3/h4-7H,1-3H3,(H,19,21)(H,20,22)
InChIKeyZIRCLNIULGNTRU-UHFFFAOYSA-N
XLogP2.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(2,4-dimethylphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46590925
5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 24672631
5-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 36809648
5-chloro-N'-[3-(dimethylamino)benzoyl]-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 43051815
1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-propan-2-ylthiourea
CID 24672599
5-chloro-N-(3-iodo-4-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 36860018
5-chloro-N'-(4-methylbenzoyl)-2-propylsulfanylpyrimidine-4-carbohydrazide
CID 35342910
5-chloro-N-(3-methyl-2-pyridinyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6462899
5-chloro-N-[4-(4-methylphenoxy)butyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 47058449
5-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24673165
5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 43418256
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 103825292

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide?
The IUPAC name of 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide (CID 43036852) is 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide is CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2C)n1.
What is the InChIKey of 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide?
The InChIKey is ZIRCLNIULGNTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-8-4-5-10(9(2)6-8)13(21)19-20-14(22)12-11(16)7-17-15(18-12)23-3/h4-7H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide?
5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide has a molecular weight of 350.83 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(2,4-dimethylbenzoyl)-2-methylsulfanylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 43036852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).