2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C10H12N6O2S — CID 2168900

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(N)cc(N)n2)no1
InChIInChI=1S/C10H12N6O2S/c1-5-2-8(16-18-5)15-9(17)4-19-10-13-6(11)3-7(12)14-10/h2-3H,4H2,1H3,(H,15,16,17)(H4,11,12,13,14)
InChIKeyHAMMXTQEXAIGON-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.67
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2168900) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2168900
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(N)cc(N)n2)no1
InChIInChI=1S/C10H12N6O2S/c1-5-2-8(16-18-5)15-9(17)4-19-10-13-6(11)3-7(12)14-10/h2-3H,4H2,1H3,(H,15,16,17)(H4,11,12,13,14)
InChIKeyHAMMXTQEXAIGON-UHFFFAOYSA-N
XLogP0.67
TPSA132.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2168900) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc(N)cc(N)n2)no1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HAMMXTQEXAIGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-5-2-8(16-18-5)15-9(17)4-19-10-13-6(11)3-7(12)14-10/h2-3H,4H2,1H3,(H,15,16,17)(H4,11,12,13,14).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2168900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).