2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide

C11H17N3O2S — CID 135561596

IUPAC2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-3-5-12-10(16)7-17-11-13-8(4-2)6-9(15)14-11/h6H,3-5,7H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyPQRWEGGICFFANG-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.95
Rot. Bonds6

About 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide

2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide (PubChem CID 135561596) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
PubChem CID135561596
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-3-5-12-10(16)7-17-11-13-8(4-2)6-9(15)14-11/h6H,3-5,7H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyPQRWEGGICFFANG-UHFFFAOYSA-N
XLogP0.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135403542
CID 135403542
CID 135488684
CID 135488684
CID 135519868
CID 135519868
CID 135690273
CID 135690273
CID 974720
CID 974720
CID 135400676
CID 135400676
CID 135443943
CID 135443943
CID 135470074
CID 135470074
CID 135491354
CID 135491354
CID 135495939
CID 135495939
CID 135516259
CID 135516259
CID 135561501
CID 135561501

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide (CID 135561596) is 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nc(CC)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
The InChIKey is PQRWEGGICFFANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-5-12-10(16)7-17-11-13-8(4-2)6-9(15)14-11/h6H,3-5,7H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide?
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide has a molecular weight of 255.34 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 135561596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).