N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

C14H21N3O3S — CID 126832616

IUPACN-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESCCn1cncc(NC(=O)CSCC2CCCCO2)c1=O
InChIInChI=1S/C14H21N3O3S/c1-2-17-10-15-7-12(14(17)19)16-13(18)9-21-8-11-5-3-4-6-20-11/h7,10-11H,2-6,8-9H2,1H3,(H,16,18)
InChIKeyDLDLLHUSGXNXLV-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.50
Rot. Bonds6

About N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide (PubChem CID 126832616) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
PubChem CID126832616
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
SMILESCCn1cncc(NC(=O)CSCC2CCCCO2)c1=O
InChIInChI=1S/C14H21N3O3S/c1-2-17-10-15-7-12(14(17)19)16-13(18)9-21-8-11-5-3-4-6-20-11/h7,10-11H,2-6,8-9H2,1H3,(H,16,18)
InChIKeyDLDLLHUSGXNXLV-UHFFFAOYSA-N
XLogP1.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-1-methylpyrazol-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126833040
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 136557584
N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126841566
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 124606152
N-[5-cyano-2-(methylamino)phenyl]-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
CID 129486600
N-(3-cyano-5-ethylthiophen-2-yl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
CID 124605923
N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 66135493
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide
CID 124615544
N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 106494309
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
N-(3-aminopropyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119407916
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119642821

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide (CID 126832616) is N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide is CCn1cncc(NC(=O)CSCC2CCCCO2)c1=O.
What is the InChIKey of N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
The InChIKey is DLDLLHUSGXNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-17-10-15-7-12(14(17)19)16-13(18)9-21-8-11-5-3-4-6-20-11/h7,10-11H,2-6,8-9H2,1H3,(H,16,18).
What are the key properties of N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide?
N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide has a molecular weight of 311.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 126832616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).