4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide

C12H12N4S — CID 62306812

IUPAC4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1ncccn1
InChIInChI=1S/C12H12N4S/c1-8-3-4-9(11(13)14)10(7-8)17-12-15-5-2-6-16-12/h2-7H,1H3,(H3,13,14)
InChIKeyUXDNYMVJBFHJJF-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.22
Rot. Bonds3

About 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide

4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide (PubChem CID 62306812) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
PubChem CID62306812
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1ncccn1
InChIInChI=1S/C12H12N4S/c1-8-3-4-9(11(13)14)10(7-8)17-12-15-5-2-6-16-12/h2-7H,1H3,(H3,13,14)
InChIKeyUXDNYMVJBFHJJF-UHFFFAOYSA-N
XLogP2.22
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.22
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

4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 65043483
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 113298641
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992
4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63093373
2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306987
2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
CID 62308177
2-benzylsulfanyl-4-methylbenzenecarboximidamide
CID 62307832
4-methyl-2-(3-methylbutylsulfanyl)benzenecarboximidamide
CID 107750181
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845
6-methylquinoline-4-carboximidamide
CID 83677821
4-methyl-2-sulfanylbenzenecarboximidamide
CID 142196477

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide?
The IUPAC name of 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide (CID 62306812) is 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Sc1ncccn1.
What is the InChIKey of 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide?
The InChIKey is UXDNYMVJBFHJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8-3-4-9(11(13)14)10(7-8)17-12-15-5-2-6-16-12/h2-7H,1H3,(H3,13,14).
What are the key properties of 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide?
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide has a molecular weight of 244.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 62306812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).