2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide

C11H17N3O2S — CID 9143693

IUPAC2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-3-4-8(2)13-10(16)7-17-11-12-6-5-9(15)14-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)(H,12,14,15)/t8-/m1/s1
InChIKeyMEAMPNKUTXKDJW-MRVPVSSYSA-N
MW255.34 g/mol
LogP1.17
Rot. Bonds6

About 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 9143693) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
PubChem CID9143693
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-3-4-8(2)13-10(16)7-17-11-12-6-5-9(15)14-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)(H,12,14,15)/t8-/m1/s1
InChIKeyMEAMPNKUTXKDJW-MRVPVSSYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexyl-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135403542
N-Cyclopentyl-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-acetamide
CID 860085
1-(2,6-Dimethyl-piperidin-1-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone
CID 3149634
N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
CID 135439887
2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-cyclohexylpropanamide
CID 135485481
4-amino-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135490319
N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2360188
N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2362539
N-cycloheptyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2364724
N-cyclooctyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3635556
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclooctylacetamide
CID 135475131
2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
CID 135403543

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide (CID 9143693) is 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is MEAMPNKUTXKDJW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-4-8(2)13-10(16)7-17-11-12-6-5-9(15)14-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)(H,12,14,15)/t8-/m1/s1.
What are the key properties of 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide?
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 255.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 9143693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).