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

C11H19N5OS — CID 2708695

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C11H19N5OS/c1-7(2)3-4-14-10(17)6-18-11-15-8(12)5-9(13)16-11/h5,7H,3-4,6H2,1-2H3,(H,14,17)(H4,12,13,15,16)
InChIKeyHSUOMIRUOZGHGX-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.90
Rot. Bonds6

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

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide (PubChem CID 2708695) 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-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
PubChem CID2708695
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C11H19N5OS/c1-7(2)3-4-14-10(17)6-18-11-15-8(12)5-9(13)16-11/h5,7H,3-4,6H2,1-2H3,(H,14,17)(H4,12,13,15,16)
InChIKeyHSUOMIRUOZGHGX-UHFFFAOYSA-N
XLogP0.90
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.90
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-methylbutyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide (CID 2708695) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide?
The InChIKey is HSUOMIRUOZGHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-7(2)3-4-14-10(17)6-18-11-15-8(12)5-9(13)16-11/h5,7H,3-4,6H2,1-2H3,(H,14,17)(H4,12,13,15,16).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.90, 6 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-methylbutyl)acetamide is sourced from PubChem (CID 2708695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).