2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide

C11H19N5OS — CID 80821516

IUPAC2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
SMILESCSc1nc(N)cc(N(CC(N)=O)CC(C)C)n1
InChIInChI=1S/C11H19N5OS/c1-7(2)5-16(6-9(13)17)10-4-8(12)14-11(15-10)18-3/h4,7H,5-6H2,1-3H3,(H2,13,17)(H2,12,14,15)
InChIKeyKXAPVNXDBJCMRC-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.73
Rot. Bonds6

About 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide

2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 80821516) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
PubChem CID80821516
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
SMILESCSc1nc(N)cc(N(CC(N)=O)CC(C)C)n1
InChIInChI=1S/C11H19N5OS/c1-7(2)5-16(6-9(13)17)10-4-8(12)14-11(15-10)18-3/h4,7H,5-6H2,1-3H3,(H2,13,17)(H2,12,14,15)
InChIKeyKXAPVNXDBJCMRC-UHFFFAOYSA-N
XLogP0.73
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide (CID 80821516) is 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide is CSc1nc(N)cc(N(CC(N)=O)CC(C)C)n1.
What is the InChIKey of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is KXAPVNXDBJCMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-7(2)5-16(6-9(13)17)10-4-8(12)14-11(15-10)18-3/h4,7H,5-6H2,1-3H3,(H2,13,17)(H2,12,14,15).
What are the key properties of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide?
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 80821516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).