4-pyrimidin-4-ylsulfanylbenzenecarboximidamide

C11H10N4S — CID 63697461

IUPAC4-pyrimidin-4-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ccncn2)cc1
InChIInChI=1S/C11H10N4S/c12-11(13)8-1-3-9(4-2-8)16-10-5-6-14-7-15-10/h1-7H,(H3,12,13)
InChIKeyFOPZWVXNXAPWSI-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.91
Rot. Bonds3

About 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide

4-pyrimidin-4-ylsulfanylbenzenecarboximidamide (PubChem CID 63697461) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-pyrimidin-4-ylsulfanylbenzenecarboximidamide
PubChem CID63697461
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-pyrimidin-4-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ccncn2)cc1
InChIInChI=1S/C11H10N4S/c12-11(13)8-1-3-9(4-2-8)16-10-5-6-14-7-15-10/h1-7H,(H3,12,13)
InChIKeyFOPZWVXNXAPWSI-UHFFFAOYSA-N
XLogP1.91
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.91
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-pyrimidin-4-ylsulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 63697815
4-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
CID 61218361
2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877275
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboximidamide
CID 115478465
2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide
CID 43519184
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)pyridine-3-carboximidamide
CID 115479801
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
3-pyrimidin-4-ylsulfanylpentanimidamide
CID 63695864
3-(4-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515661
4-methylphosphanylbenzenecarboximidamide
CID 156750976
5-pyrimidin-4-ylsulfanylpyridine-2-carbonitrile
CID 115489987
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
CID 104603204

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide?
The IUPAC name of 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide (CID 63697461) is 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2ccncn2)cc1.
What is the InChIKey of 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide?
The InChIKey is FOPZWVXNXAPWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c12-11(13)8-1-3-9(4-2-8)16-10-5-6-14-7-15-10/h1-7H,(H3,12,13).
What are the key properties of 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide?
4-pyrimidin-4-ylsulfanylbenzenecarboximidamide has a molecular weight of 230.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-4-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 63697461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).