2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide

C10H8ClN5S — CID 107551875

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2ncccc2Cl)n1
InChIInChI=1S/C10H8ClN5S/c11-6-2-1-4-14-9(6)17-10-15-5-3-7(16-10)8(12)13/h1-5H,(H3,12,13)
InChIKeyHDXXVXHCYGMING-UHFFFAOYSA-N
MW265.73 g/mol
LogP1.96
Rot. Bonds3

About 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide

2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide (PubChem CID 107551875) has the molecular formula C10H8ClN5S and a molecular weight of 265.73 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide
PubChem CID107551875
Molecular FormulaC10H8ClN5S
Molecular Weight265.73 g/mol
Exact Mass265.02
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2ncccc2Cl)n1
InChIInChI=1S/C10H8ClN5S/c11-6-2-1-4-14-9(6)17-10-15-5-3-7(16-10)8(12)13/h1-5H,(H3,12,13)
InChIKeyHDXXVXHCYGMING-UHFFFAOYSA-N
XLogP1.96
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboximidamide
CID 64595409
2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid
CID 107555254
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 91252009
2-cyclohexylsulfanylpyrimidine-4-carboximidamide
CID 107551814
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidine-4-carboximidamide
CID 107551920
2-(2-methoxyethylsulfanyl)pyrimidine-4-carboximidamide
CID 107551802
4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881655
pyridine-2,6-dicarboximidamide
CID 23373306
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine-5-carboxylic acid
CID 83183757
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide (CID 107551875) is 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Sc2ncccc2Cl)n1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide?
The InChIKey is HDXXVXHCYGMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5S/c11-6-2-1-4-14-9(6)17-10-15-5-3-7(16-10)8(12)13/h1-5H,(H3,12,13).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide has a molecular weight of 265.73 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).