3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide

C10H9N5S — CID 107588810

IUPAC3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1Nc1cncnc1
InChIInChI=1S/C10H9N5S/c11-10(16)8-1-2-12-5-9(8)15-7-3-13-6-14-4-7/h1-6,15H,(H2,11,16)
InChIKeyLYRNQLGYFPBAGA-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.25
Rot. Bonds3

About 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide

3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide (PubChem CID 107588810) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide
PubChem CID107588810
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1Nc1cncnc1
InChIInChI=1S/C10H9N5S/c11-10(16)8-1-2-12-5-9(8)15-7-3-13-6-14-4-7/h1-6,15H,(H2,11,16)
InChIKeyLYRNQLGYFPBAGA-UHFFFAOYSA-N
XLogP1.25
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-anilinopyridine-4-carbothioamide
CID 114287995
3-(3,5-dimethylanilino)pyridine-4-carbothioamide
CID 113269508
3-[4-(difluoromethoxy)anilino]pyridine-4-carbothioamide
CID 114288155
5-chloro-2-(pyrimidin-5-ylamino)benzenecarbothioamide
CID 107588817
3-[2-(trifluoromethyl)anilino]pyridine-4-carbothioamide
CID 114288045
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000
3-(2,4-dichloroanilino)pyridine-4-carbothioamide
CID 114288050
3-(quinolin-8-ylamino)pyridine-4-carbothioamide
CID 114288039
3-(2,4-dimethylanilino)pyridine-4-carbothioamide
CID 114288096
3-(2-propan-2-ylanilino)pyridine-4-carbothioamide
CID 114288058
3-(2-fluoroethylamino)pyridine-4-carbothioamide
CID 130504428
3-(2-chloro-4,6-difluoroanilino)pyridine-4-carbothioamide
CID 83087296

Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide (CID 107588810) is 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide is NC(=S)c1ccncc1Nc1cncnc1.
What is the InChIKey of 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide?
The InChIKey is LYRNQLGYFPBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-10(16)8-1-2-12-5-9(8)15-7-3-13-6-14-4-7/h1-6,15H,(H2,11,16).
What are the key properties of 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide?
3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide has a molecular weight of 231.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 107588810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).