2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide

C12H10Cl2N4S — CID 107551733

IUPAC2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H10Cl2N4S/c1-6-4-9(11(15)16)18-12(17-6)19-10-5-7(13)2-3-8(10)14/h2-5H,1H3,(H3,15,16)
InChIKeyJBRGCYLBKCMYQT-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.53
Rot. Bonds3

About 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide

2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide (PubChem CID 107551733) has the molecular formula C12H10Cl2N4S and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
PubChem CID107551733
Molecular FormulaC12H10Cl2N4S
Molecular Weight313.21 g/mol
Exact Mass312.00
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H10Cl2N4S/c1-6-4-9(11(15)16)18-12(17-6)19-10-5-7(13)2-3-8(10)14/h2-5H,1H3,(H3,15,16)
InChIKeyJBRGCYLBKCMYQT-UHFFFAOYSA-N
XLogP3.53
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.53
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-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551795
6-methyl-2-(3-methylphenyl)sulfanylpyrimidine-4-carboximidamide
CID 107551821
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyrimidine-4-carboximidamide
CID 107551904
3-chloro-4-(2,5-dichlorophenyl)sulfanylbenzenecarboximidamide
CID 55223593
7-chloro-4-methylquinoline-2-carboximidamide
CID 82573454
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550822
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
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845
2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551143
6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride
CID 53484967

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide (CID 107551733) is 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide?
The InChIKey is JBRGCYLBKCMYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4S/c1-6-4-9(11(15)16)18-12(17-6)19-10-5-7(13)2-3-8(10)14/h2-5H,1H3,(H3,15,16).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide?
2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide has a molecular weight of 313.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107551733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).