N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

C19H23N3O3S — CID 1073941

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCC(C)Cc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C19H23N3O3S/c1-11(2)8-15-17(24)21-19(22-18(15)25)26-10-16(23)20-14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,23)(H2,21,22,24,25)
InChIKeyWMSVQVIXRMMIOK-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.89
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 1073941) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID1073941
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
SMILESCC(C)Cc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C19H23N3O3S/c1-11(2)8-15-17(24)21-19(22-18(15)25)26-10-16(23)20-14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,23)(H2,21,22,24,25)
InChIKeyWMSVQVIXRMMIOK-UHFFFAOYSA-N
XLogP2.89
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 1073941) is N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is CC(C)Cc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is WMSVQVIXRMMIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-11(2)8-15-17(24)21-19(22-18(15)25)26-10-16(23)20-14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,20,23)(H2,21,22,24,25).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1073941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).