N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide

C15H16N4O2S — CID 929504

IUPACN-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide
SMILESCOc1cc(C)nc(NC(=S)N(C)C(=O)c2ccccc2)n1
InChIInChI=1S/C15H16N4O2S/c1-10-9-12(21-3)17-14(16-10)18-15(22)19(2)13(20)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,16,17,18,22)
InChIKeyFDZKCQSEXXLYPM-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.26
Rot. Bonds3

About N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide

N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide (PubChem CID 929504) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide
PubChem CID929504
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide
SMILESCOc1cc(C)nc(NC(=S)N(C)C(=O)c2ccccc2)n1
InChIInChI=1S/C15H16N4O2S/c1-10-9-12(21-3)17-14(16-10)18-15(22)19(2)13(20)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,16,17,18,22)
InChIKeyFDZKCQSEXXLYPM-UHFFFAOYSA-N
XLogP2.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

Orthosulfamuron
CID 11091168
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide
CID 135547802
N-{[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonothioyl}benzamide
CID 1122207
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 717499
N-(4,6-dimethyl-2-pyrimidinyl)-2-methoxybenzamide
CID 966568
N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide
CID 1272740
2-(4-methoxy-6-methylpyrimidin-2-yl)-4H-isoquinoline-1,3-dione
CID 44265717
N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]-2-methoxybenzamide
CID 135452177
N-Benzoyl-N'-(4,6-dimethyl-pyrimidin-2-yl)-N''-(4-methoxy-phenyl)-guanidine
CID 135437295
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide
CID 134692036
[4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53589675
3-[4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile
CID 53589741

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide?
The IUPAC name of N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide (CID 929504) is N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide.
What is the SMILES notation for N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide?
The canonical SMILES for N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide is COc1cc(C)nc(NC(=S)N(C)C(=O)c2ccccc2)n1.
What is the InChIKey of N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide?
The InChIKey is FDZKCQSEXXLYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-9-12(21-3)17-14(16-10)18-15(22)19(2)13(20)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,16,17,18,22).
What are the key properties of N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide?
N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide has a molecular weight of 316.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide is sourced from PubChem (CID 929504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).