N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide

C15H18N4OS — CID 136987415

IUPACN'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide
SMILESC/N=C(\CSc1nc(C)cc(=O)[nH]1)Nc1ccccc1C
InChIInChI=1S/C15H18N4OS/c1-10-6-4-5-7-12(10)18-13(16-3)9-21-15-17-11(2)8-14(20)19-15/h4-8H,9H2,1-3H3,(H,16,18)(H,17,19,20)
InChIKeyNNHAFZUEXAZWBM-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.62
Rot. Bonds4

About N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide

N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide (PubChem CID 136987415) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide
PubChem CID136987415
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide
SMILESC/N=C(\CSc1nc(C)cc(=O)[nH]1)Nc1ccccc1C
InChIInChI=1S/C15H18N4OS/c1-10-6-4-5-7-12(10)18-13(16-3)9-21-15-17-11(2)8-14(20)19-15/h4-8H,9H2,1-3H3,(H,16,18)(H,17,19,20)
InChIKeyNNHAFZUEXAZWBM-UHFFFAOYSA-N
XLogP2.62
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464045
N-[2-methyl-4-[[3-methyl-4-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135795841
2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135418814
N-(2,4-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135399216
ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135552142
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135412196
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135650088
N-(2,3-dimethylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135435482
N-(3-iodophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 137144407
N-(4-methoxy-2,5-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135402516
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide?
The IUPAC name of N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide (CID 136987415) is N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide.
What is the SMILES notation for N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide?
The canonical SMILES for N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide is C/N=C(\CSc1nc(C)cc(=O)[nH]1)Nc1ccccc1C.
What is the InChIKey of N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide?
The InChIKey is NNHAFZUEXAZWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-6-4-5-7-12(10)18-13(16-3)9-21-15-17-11(2)8-14(20)19-15/h4-8H,9H2,1-3H3,(H,16,18)(H,17,19,20).
What are the key properties of N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide?
N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide has a molecular weight of 302.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)ethanimidamide is sourced from PubChem (CID 136987415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).