2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide

C11H17N5O2S — CID 40663372

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nc(C)cc(N)n1
InChIInChI=1S/C11H17N5O2S/c1-3-4-13-10(18)16-9(17)6-19-11-14-7(2)5-8(12)15-11/h5H,3-4,6H2,1-2H3,(H2,12,14,15)(H2,13,16,17,18)
InChIKeyUBJMMWDHDRJBFA-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.70
Rot. Bonds5

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide (PubChem CID 40663372) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide
PubChem CID40663372
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nc(C)cc(N)n1
InChIInChI=1S/C11H17N5O2S/c1-3-4-13-10(18)16-9(17)6-19-11-14-7(2)5-8(12)15-11/h5H,3-4,6H2,1-2H3,(H2,12,14,15)(H2,13,16,17,18)
InChIKeyUBJMMWDHDRJBFA-UHFFFAOYSA-N
XLogP0.70
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide (CID 40663372) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1nc(C)cc(N)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
The InChIKey is UBJMMWDHDRJBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-3-4-13-10(18)16-9(17)6-19-11-14-7(2)5-8(12)15-11/h5H,3-4,6H2,1-2H3,(H2,12,14,15)(H2,13,16,17,18).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide has a molecular weight of 283.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 40663372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).