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

C9H15N3O3S — CID 40617398

IUPACN-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESC[C@@H]1CC(=O)NC(SCC(=O)NCCO)=N1
InChIInChI=1S/C9H15N3O3S/c1-6-4-7(14)12-9(11-6)16-5-8(15)10-2-3-13/h6,13H,2-5H2,1H3,(H,10,15)(H,11,12,14)/t6-/m1/s1
InChIKeyYKQLQUXPDACQGP-ZCFIWIBFSA-N
MW245.30 g/mol
LogP-0.91
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 40617398) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID40617398
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESC[C@@H]1CC(=O)NC(SCC(=O)NCCO)=N1
InChIInChI=1S/C9H15N3O3S/c1-6-4-7(14)12-9(11-6)16-5-8(15)10-2-3-13/h6,13H,2-5H2,1H3,(H,10,15)(H,11,12,14)/t6-/m1/s1
InChIKeyYKQLQUXPDACQGP-ZCFIWIBFSA-N
XLogP-0.91
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 40617398) is N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide is C[C@@H]1CC(=O)NC(SCC(=O)NCCO)=N1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is YKQLQUXPDACQGP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-6-4-7(14)12-9(11-6)16-5-8(15)10-2-3-13/h6,13H,2-5H2,1H3,(H,10,15)(H,11,12,14)/t6-/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 245.30 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 40617398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).