2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide

C10H16N4O2S — CID 135473666

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2S/c1-10(2,3)14-8(16)5-17-9-12-6(11)4-7(15)13-9/h4H,5H2,1-3H3,(H,14,16)(H3,11,12,13,15)
InChIKeyYTGFNTVGWITBME-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.36
Rot. Bonds3

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

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide (PubChem CID 135473666) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide
PubChem CID135473666
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O2S/c1-10(2,3)14-8(16)5-17-9-12-6(11)4-7(15)13-9/h4H,5H2,1-3H3,(H,14,16)(H3,11,12,13,15)
InChIKeyYTGFNTVGWITBME-UHFFFAOYSA-N
XLogP0.36
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.36
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]-N-tert-butylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide (CID 135473666) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide?
The InChIKey is YTGFNTVGWITBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-10(2,3)14-8(16)5-17-9-12-6(11)4-7(15)13-9/h4H,5H2,1-3H3,(H,14,16)(H3,11,12,13,15).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide has a molecular weight of 256.33 g/mol, XLogP of 0.36, 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]-N-tert-butylacetamide is sourced from PubChem (CID 135473666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).