N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C10H15N3O3S — CID 705717

IUPACN-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3S/c1-10(2,3)13-8(16)5-17-9-11-6(14)4-7(15)12-9/h4H,5H2,1-3H3,(H,13,16)(H2,11,12,14,15)
InChIKeyGMQDWNPSQJHMKG-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.48
Rot. Bonds3

About N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 705717) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID705717
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3S/c1-10(2,3)13-8(16)5-17-9-11-6(14)4-7(15)12-9/h4H,5H2,1-3H3,(H,13,16)(H2,11,12,14,15)
InChIKeyGMQDWNPSQJHMKG-UHFFFAOYSA-N
XLogP0.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Hexylthio)pyrimidine-4,6-diol
CID 1912564
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide
CID 135473666
2-(Pentylsulfanyl)pyrimidine-4,6-diol
CID 660705
2-(butan-2-ylsulfanyl)-6-hydroxypyrimidin-4(3H)-one
CID 2842590
4-hydroxy-2-(4-methylpentylsulfanyl)-1H-pyrimidin-6-one
CID 127043349
2-hex-3-ynylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
CID 127045480
2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
CID 256230
N-tert-butyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135449566
2-(Tert-butylsulfanyl)pyrimidine-4,6-diol
CID 662121
N-tert-butyl-2-[(1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135403382
2-(Propylthio)pyrimidine-4,6-diol
CID 3722602
N-(tert-butyl)-2-((6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135561736

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 705717) is N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nc(O)cc(=O)[nH]1.
What is the InChIKey of N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is GMQDWNPSQJHMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(2,3)13-8(16)5-17-9-11-6(14)4-7(15)12-9/h4H,5H2,1-3H3,(H,13,16)(H2,11,12,14,15).
What are the key properties of N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 257.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 705717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).