6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide

C13H14N4S — CID 107551821

IUPAC6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2cccc(C)c2)n1
InChIInChI=1S/C13H14N4S/c1-8-4-3-5-10(6-8)18-13-16-9(2)7-11(17-13)12(14)15/h3-7H,1-2H3,(H3,14,15)
InChIKeyWUVVBRPTSJUDOS-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.53
Rot. Bonds3

About 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide

6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide (PubChem CID 107551821) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide
PubChem CID107551821
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2cccc(C)c2)n1
InChIInChI=1S/C13H14N4S/c1-8-4-3-5-10(6-8)18-13-16-9(2)7-11(17-13)12(14)15/h3-7H,1-2H3,(H3,14,15)
InChIKeyWUVVBRPTSJUDOS-UHFFFAOYSA-N
XLogP2.53
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.53
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

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyrimidine-4-carboximidamide
CID 107551904
2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551795
2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551733
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-methylpyrimidine-4-carboximidamide
CID 107551897
6-methyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboximidamide
CID 107551838
3-methyl-2-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107111029
6-methyl-2-phenylsulfanylpyrimidine-4-carboxylic acid
CID 107555102
3-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline
CID 2735403
2-bromo-3-fluoro-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107537084
2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824
2-(3-methylphenyl)sulfanylpyrimidine-4-carboxylic acid
CID 107555200

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide?
The IUPAC name of 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide (CID 107551821) is 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide.
What is the SMILES notation for 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide?
The canonical SMILES for 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Sc2cccc(C)c2)n1.
What is the InChIKey of 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide?
The InChIKey is WUVVBRPTSJUDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-8-4-3-5-10(6-8)18-13-16-9(2)7-11(17-13)12(14)15/h3-7H,1-2H3,(H3,14,15).
What are the key properties of 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide?
6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide has a molecular weight of 258.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107551821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).