3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

C13H13N5OS2 — CID 115279669

IUPAC3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESCc1cc(N)nc(SCCC(=O)Nc2sccc2C#N)n1
InChIInChI=1S/C13H13N5OS2/c1-8-6-10(15)17-13(16-8)21-5-3-11(19)18-12-9(7-14)2-4-20-12/h2,4,6H,3,5H2,1H3,(H,18,19)(H2,15,16,17)
InChIKeyNHGNAMROONBMIS-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.42
Rot. Bonds5

About 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (PubChem CID 115279669) has the molecular formula C13H13N5OS2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
PubChem CID115279669
Molecular FormulaC13H13N5OS2
Molecular Weight319.42 g/mol
Exact Mass319.06
IUPAC Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
SMILESCc1cc(N)nc(SCCC(=O)Nc2sccc2C#N)n1
InChIInChI=1S/C13H13N5OS2/c1-8-6-10(15)17-13(16-8)21-5-3-11(19)18-12-9(7-14)2-4-20-12/h2,4,6H,3,5H2,1H3,(H,18,19)(H2,15,16,17)
InChIKeyNHGNAMROONBMIS-UHFFFAOYSA-N
XLogP2.42
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
CID 71900220
N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8759941
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
CID 115331106
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 8907694
3-(4-tert-butylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 9042639
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 66220996
3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 8544238
methyl 3-(4-amino-6-methylpyrimidin-2-yl)sulfanylpropanoate
CID 115279578
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 47023814
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 79147880
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 24631051
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8855148

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide (CID 115279669) is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide.
What is the SMILES notation for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The canonical SMILES for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is Cc1cc(N)nc(SCCC(=O)Nc2sccc2C#N)n1.
What is the InChIKey of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
The InChIKey is NHGNAMROONBMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS2/c1-8-6-10(15)17-13(16-8)21-5-3-11(19)18-12-9(7-14)2-4-20-12/h2,4,6H,3,5H2,1H3,(H,18,19)(H2,15,16,17).
What are the key properties of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide?
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide has a molecular weight of 319.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide is sourced from PubChem (CID 115279669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).