2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid

C11H10N4O2S — CID 13425055

IUPAC2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCSc1ncc(C(=O)O)c(Nc2ccccn2)n1
InChIInChI=1S/C11H10N4O2S/c1-18-11-13-6-7(10(16)17)9(15-11)14-8-4-2-3-5-12-8/h2-6H,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyOBWHOAFUZMIZDM-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.04
Rot. Bonds4

About 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid

2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 13425055) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
PubChem CID13425055
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCSc1ncc(C(=O)O)c(Nc2ccccn2)n1
InChIInChI=1S/C11H10N4O2S/c1-18-11-13-6-7(10(16)17)9(15-11)14-8-4-2-3-5-12-8/h2-6H,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyOBWHOAFUZMIZDM-UHFFFAOYSA-N
XLogP2.04
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Benzylthio)-2-(methylthio)-6-(3-pyridylmethylamino)pyrimidine-5-carboxylic Acid
CID 46854433
4-(Benzylthio)-2-(methylthio)-6-(4-pyridylmethylamino)pyrimidine-5-carboxylic Acid
CID 46854434
Ethyl 4-[(3-fluorophenyl)amino]-2-methylthiopyrimidine-5-carboxylate
CID 762224
4-Amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester
CID 2067268
Ethyl 2-(methylthio)-4-(phenylamino)pyrimidine-5-carboxylate
CID 295672
US9579320, Example 37
CID 59199513
US9579320, Example 5
CID 59199536
2-(Pyridin-2-yl)pyrimidine-5-carboxylic acid
CID 24903633
Butanedioic acid;2-(pyridin-3-ylmethylsulfanyl)pyrimidine-4,6-diamine
CID 52945357
Ethyl 4-(4-fluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 295723
Ethyl 4-(2-fluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 295760
4-[[(1S)-1-(6-methyl-3-pyridinyl)ethyl]amino]pyrimidine-5-carboxylic acid
CID 97190842

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid (CID 13425055) is 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid is CSc1ncc(C(=O)O)c(Nc2ccccn2)n1.
What is the InChIKey of 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is OBWHOAFUZMIZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-18-11-13-6-7(10(16)17)9(15-11)14-8-4-2-3-5-12-8/h2-6H,1H3,(H,16,17)(H,12,13,14,15).
What are the key properties of 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid?
2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-(pyridin-2-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 13425055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).