4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid

C10H4F4N4O2S — CID 22001931

IUPAC4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid
SMILESNc1nc(Sc2c(F)c(F)nc(F)c2F)ncc1C(=O)O
InChIInChI=1S/C10H4F4N4O2S/c11-3-5(4(12)7(14)17-6(3)13)21-10-16-1-2(9(19)20)8(15)18-10/h1H,(H,19,20)(H2,15,16,18)
InChIKeyMAMRQZCTLXPHMA-UHFFFAOYSA-N
MW320.23 g/mol
LogP1.86
Rot. Bonds3

About 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid

4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid (PubChem CID 22001931) has the molecular formula C10H4F4N4O2S and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid
PubChem CID22001931
Molecular FormulaC10H4F4N4O2S
Molecular Weight320.23 g/mol
Exact Mass320.00
IUPAC Name4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid
SMILESNc1nc(Sc2c(F)c(F)nc(F)c2F)ncc1C(=O)O
InChIInChI=1S/C10H4F4N4O2S/c11-3-5(4(12)7(14)17-6(3)13)21-10-16-1-2(9(19)20)8(15)18-10/h1H,(H,19,20)(H2,15,16,18)
InChIKeyMAMRQZCTLXPHMA-UHFFFAOYSA-N
XLogP1.86
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylate
CID 22001796
Ethyl 2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylate
CID 22001799
2-[(2,3,5,6-Tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid
CID 22001935
2-[(2,3,5-Trifluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid
CID 154449455
Ethyl 4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]pyrimidine-5-carboxylate
CID 105570053
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-5-fluoropyridine-3-carboxylic acid
CID 108067626
4-(3,4-Difluorophenyl)sulfanylpyrimidine-5-carboxylic acid
CID 114214956
4-(2,4-Difluorophenyl)sulfanylpyrimidine-5-carboxylic acid
CID 114214959
2-Methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
CID 13425055
2-Methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 28905818
2-Methylsulfanyl-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 28905828

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid (CID 22001931) is 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid is Nc1nc(Sc2c(F)c(F)nc(F)c2F)ncc1C(=O)O.
What is the InChIKey of 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid?
The InChIKey is MAMRQZCTLXPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N4O2S/c11-3-5(4(12)7(14)17-6(3)13)21-10-16-1-2(9(19)20)8(15)18-10/h1H,(H,19,20)(H2,15,16,18).
What are the key properties of 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid?
4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid has a molecular weight of 320.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 22001931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).