4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide

C11H11N5S — CID 63881655

IUPAC4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ncccn2)ccn1
InChIInChI=1S/C11H11N5S/c12-10(13)9-6-8(2-5-14-9)7-17-11-15-3-1-4-16-11/h1-6H,7H2,(H3,12,13)
InChIKeyAPPJDVZUNMOMOA-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.45
Rot. Bonds4

About 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide

4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide (PubChem CID 63881655) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
PubChem CID63881655
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ncccn2)ccn1
InChIInChI=1S/C11H11N5S/c12-10(13)9-6-8(2-5-14-9)7-17-11-15-3-1-4-16-11/h1-6H,7H2,(H3,12,13)
InChIKeyAPPJDVZUNMOMOA-UHFFFAOYSA-N
XLogP1.45
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.45
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

4-[(2-methylphenyl)sulfanylmethyl]pyridine-2-carboximidamide
CID 63881838
4-(pyrazin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63883004
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881662
4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 107750271
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
[4-(pyrimidin-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62463993
4-ethylsulfanylpyridine-2-carboximidamide
CID 62926350
2-(pyridin-4-ylmethylsulfanyl)pyrimidine
CID 13232441
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
CID 63880856
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
The IUPAC name of 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide (CID 63881655) is 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CSc2ncccn2)ccn1.
What is the InChIKey of 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
The InChIKey is APPJDVZUNMOMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c12-10(13)9-6-8(2-5-14-9)7-17-11-15-3-1-4-16-11/h1-6H,7H2,(H3,12,13).
What are the key properties of 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide?
4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide has a molecular weight of 245.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 63881655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).