2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid

C11H10N4O2S — CID 22250300

IUPAC2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid
SMILESCSc1nc(Nc2ccncc2)cc(C(=O)O)n1
InChIInChI=1S/C11H10N4O2S/c1-18-11-14-8(10(16)17)6-9(15-11)13-7-2-4-12-5-3-7/h2-6H,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyNXFNQBSZAWDETE-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.04
Rot. Bonds4

About 2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid

2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid (PubChem CID 22250300) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid
PubChem CID22250300
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid
SMILESCSc1nc(Nc2ccncc2)cc(C(=O)O)n1
InChIInChI=1S/C11H10N4O2S/c1-18-11-14-8(10(16)17)6-9(15-11)13-7-2-4-12-5-3-7/h2-6H,1H3,(H,16,17)(H,12,13,14,15)
InChIKeyNXFNQBSZAWDETE-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

6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872051
6-(cyclopropylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872056
2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
CID 82293663
6-anilino-2-ethylpyrimidine-4-carboxylic acid
CID 82293665
6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83852290
1-[3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]ethanone
CID 71671574
6-fluoro-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine
CID 14461153
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 14935475
[4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3-methylbutanoate
CID 9150134
2-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]benzoic acid
CID 71352960
6-hydrazinyl-2-methylsulfanyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine
CID 80913186

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid (CID 22250300) is 2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid is CSc1nc(Nc2ccncc2)cc(C(=O)O)n1.
What is the InChIKey of 2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid?
The InChIKey is NXFNQBSZAWDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-18-11-14-8(10(16)17)6-9(15-11)13-7-2-4-12-5-3-7/h2-6H,1H3,(H,16,17)(H,12,13,14,15).
What are the key properties of 2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid?
2-methylsulfanyl-6-(pyridin-4-ylamino)pyrimidine-4-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-6-(pyridin-4-ylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 22250300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).