2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

C11H19N5OS — CID 4798205

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C11H19N5OS/c1-6(2)7(3)14-10(17)5-18-11-15-8(12)4-9(13)16-11/h4,6-7H,5H2,1-3H3,(H,14,17)(H4,12,13,15,16)
InChIKeyNCUGMSAFJYTQAU-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.89
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 4798205) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
PubChem CID4798205
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C11H19N5OS/c1-6(2)7(3)14-10(17)5-18-11-15-8(12)4-9(13)16-11/h4,6-7H,5H2,1-3H3,(H,14,17)(H4,12,13,15,16)
InChIKeyNCUGMSAFJYTQAU-UHFFFAOYSA-N
XLogP0.89
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide (CID 4798205) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is NCUGMSAFJYTQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-6(2)7(3)14-10(17)5-18-11-15-8(12)4-9(13)16-11/h4,6-7H,5H2,1-3H3,(H,14,17)(H4,12,13,15,16).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 4798205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).