N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide

C10H17N3O3S — CID 40595577

IUPACN-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESC[C@H](O)CNC(=O)CSC1=N[C@@H](C)CC(=O)N1
InChIInChI=1S/C10H17N3O3S/c1-6-3-8(15)13-10(12-6)17-5-9(16)11-4-7(2)14/h6-7,14H,3-5H2,1-2H3,(H,11,16)(H,12,13,15)/t6-,7-/m0/s1
InChIKeyONHFKZLERUCGJA-BQBZGAKWSA-N
MW259.33 g/mol
LogP-0.52
Rot. Bonds4

About N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 40595577) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID40595577
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESC[C@H](O)CNC(=O)CSC1=N[C@@H](C)CC(=O)N1
InChIInChI=1S/C10H17N3O3S/c1-6-3-8(15)13-10(12-6)17-5-9(16)11-4-7(2)14/h6-7,14H,3-5H2,1-2H3,(H,11,16)(H,12,13,15)/t6-,7-/m0/s1
InChIKeyONHFKZLERUCGJA-BQBZGAKWSA-N
XLogP-0.52
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 40595577) is N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide is C[C@H](O)CNC(=O)CSC1=N[C@@H](C)CC(=O)N1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is ONHFKZLERUCGJA-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-6-3-8(15)13-10(12-6)17-5-9(16)11-4-7(2)14/h6-7,14H,3-5H2,1-2H3,(H,11,16)(H,12,13,15)/t6-,7-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 259.33 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2-[[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 40595577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).