2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide

C7H10N4O2S — CID 1491861

IUPAC2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(=O)n(N)c(SCC(N)=O)n1
InChIInChI=1S/C7H10N4O2S/c1-4-2-6(13)11(9)7(10-4)14-3-5(8)12/h2H,3,9H2,1H3,(H2,8,12)
InChIKeyOZMIQIBTPPOUEC-UHFFFAOYSA-N
MW214.25 g/mol
LogP-1.16
Rot. Bonds3

About 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide

2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 1491861) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID1491861
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(=O)n(N)c(SCC(N)=O)n1
InChIInChI=1S/C7H10N4O2S/c1-4-2-6(13)11(9)7(10-4)14-3-5(8)12/h2H,3,9H2,1H3,(H2,8,12)
InChIKeyOZMIQIBTPPOUEC-UHFFFAOYSA-N
XLogP-1.16
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 1491861) is 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide is Cc1cc(=O)n(N)c(SCC(N)=O)n1.
What is the InChIKey of 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is OZMIQIBTPPOUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-4-2-6(13)11(9)7(10-4)14-3-5(8)12/h2H,3,9H2,1H3,(H2,8,12).
What are the key properties of 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide?
2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 214.25 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-methyl-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1491861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).