N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

C12H19N3O3S — CID 135403382

IUPACN-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O
InChIInChI=1S/C12H19N3O3S/c1-5-15-10(18)6-8(16)13-11(15)19-7-9(17)14-12(2,3)4/h6,16H,5,7H2,1-4H3,(H,14,17)
InChIKeyZGYHZNJAZPMHQD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.98
Rot. Bonds4

About N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 135403382) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID135403382
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O
InChIInChI=1S/C12H19N3O3S/c1-5-15-10(18)6-8(16)13-11(15)19-7-9(17)14-12(2,3)4/h6,16H,5,7H2,1-4H3,(H,14,17)
InChIKeyZGYHZNJAZPMHQD-UHFFFAOYSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-Ethyl-2-(ethylthio)-6-hydroxypyrimidin-4(3H)-one
CID 135441610
N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
CID 135439887
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-tert-butylacetamide
CID 135473666
N,N-diethyl-2-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135420395
N-tert-butyl-2-[(4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 705717
N,N-diethyl-2-((1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135401674
3-allyl-2-(ethylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135421752
3-allyl-2-(sec-butylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135458827
2-(butylthio)-1-ethyl-6-hydroxy-4(1H)-pyrimidinone
CID 135420636
N,N-diethyl-2-[(4-hydroxy-6-methoxypyrimidin-2-yl)sulfanyl]acetamide
CID 799973
N-tert-butyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135449566
2-Butylsulfanyl-6-hydroxy-1-prop-2-enylpyrimidin-4-one
CID 135406754

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 135403382) is N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is CCn1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O.
What is the InChIKey of N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is ZGYHZNJAZPMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-5-15-10(18)6-8(16)13-11(15)19-7-9(17)14-12(2,3)4/h6,16H,5,7H2,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135403382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).