5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid

C14H10N4O2S — CID 59468633

IUPAC5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccnc(Nc3cccnc3)n2)s1
InChIInChI=1S/C14H10N4O2S/c19-13(20)12-4-3-11(21-12)10-5-7-16-14(18-10)17-9-2-1-6-15-8-9/h1-8H,(H,19,20)(H,16,17,18)
InChIKeyKCIVATGDHBJLSF-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.04
Rot. Bonds4

About 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid

5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid (PubChem CID 59468633) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid
PubChem CID59468633
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccnc(Nc3cccnc3)n2)s1
InChIInChI=1S/C14H10N4O2S/c19-13(20)12-4-3-11(21-12)10-5-7-16-14(18-10)17-9-2-1-6-15-8-9/h1-8H,(H,19,20)(H,16,17,18)
InChIKeyKCIVATGDHBJLSF-UHFFFAOYSA-N
XLogP3.04
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-(Benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)benzoic acid
CID 44406487
US9969726, Example 80
CID 118577330
Methyl 3-amino-6-(pyrimidin-2-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907063
4-(Pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylic acid
CID 86732530
US20230348450, Example 63
CID 162757077
US20230348450, Example 88
CID 169320207
2-(2-{[2-(1,3-Thiazol-4-yl)ethyl]amino}pyrimidin-4-yl)isonicotinic acid
CID 70768554
4-[[4-(4-Methylthiophen-2-yl)pyrimidin-2-yl]amino]benzoic acid
CID 137653291
5-pyrimidin-4-ylthiophene-2-carboxylic Acid
CID 4134899
5-[[(2S)-2-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164643096
5-[2-(3,4-Difluoroanilino)-4-[3-(dimethylamino)propylamino]pyrimidin-5-yl]thiophene-2-carboxylic acid
CID 59354047
5-[3-[[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]phenyl]thiophene-2-carboxylic acid
CID 91024948

Frequently Asked Questions

What is the IUPAC name of 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid (CID 59468633) is 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2ccnc(Nc3cccnc3)n2)s1.
What is the InChIKey of 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid?
The InChIKey is KCIVATGDHBJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c19-13(20)12-4-3-11(21-12)10-5-7-16-14(18-10)17-9-2-1-6-15-8-9/h1-8H,(H,19,20)(H,16,17,18).
What are the key properties of 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid?
5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid has a molecular weight of 298.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyridin-3-ylamino)pyrimidin-4-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 59468633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).