2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C20H25N3O3S — CID 135415424

IUPAC2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)Cn1c(SCC(=O)NC2CCCc3ccccc32)nc(O)cc1=O
InChIInChI=1S/C20H25N3O3S/c1-13(2)11-23-19(26)10-17(24)22-20(23)27-12-18(25)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10,13,16,24H,5,7,9,11-12H2,1-2H3,(H,21,25)
InChIKeyFFYYFLDZEAUFBT-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.89
Rot. Bonds6

About 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 135415424) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID135415424
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)Cn1c(SCC(=O)NC2CCCc3ccccc32)nc(O)cc1=O
InChIInChI=1S/C20H25N3O3S/c1-13(2)11-23-19(26)10-17(24)22-20(23)27-12-18(25)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10,13,16,24H,5,7,9,11-12H2,1-2H3,(H,21,25)
InChIKeyFFYYFLDZEAUFBT-UHFFFAOYSA-N
XLogP2.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 135415424) is 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC(C)Cn1c(SCC(=O)NC2CCCc3ccccc32)nc(O)cc1=O.
What is the InChIKey of 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is FFYYFLDZEAUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13(2)11-23-19(26)10-17(24)22-20(23)27-12-18(25)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,10,13,16,24H,5,7,9,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 135415424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).