2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C6H8N4O2S — CID 135456256

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C6H8N4O2S/c7-3-1-5(12)10-6(9-3)13-2-4(8)11/h1H,2H2,(H2,8,11)(H3,7,9,10,12)
InChIKeyCBBCHLPSCAAGDP-UHFFFAOYSA-N
MW200.22 g/mol
LogP-1.07
Rot. Bonds3

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135456256) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135456256
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C6H8N4O2S/c7-3-1-5(12)10-6(9-3)13-2-4(8)11/h1H,2H2,(H2,8,11)(H3,7,9,10,12)
InChIKeyCBBCHLPSCAAGDP-UHFFFAOYSA-N
XLogP-1.07
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135456256) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is NC(=O)CSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is CBBCHLPSCAAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S/c7-3-1-5(12)10-6(9-3)13-2-4(8)11/h1H,2H2,(H2,8,11)(H3,7,9,10,12).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 200.22 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135456256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).