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N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide

C19H21N5O2S — CID 135551751

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2SC)[nH]c1=O
InChIInChI=1S/C19H21N5O2S/c1-5-13-12(3)20-19(22-17(13)25)24-16(10-11(2)23-24)21-18(26)14-8-6-7-9-15(14)27-4/h6-10H,5H2,1-4H3,(H,21,26)(H,20,22,25)
InChIKeyKJHIZYQJIJRUCX-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (PubChem CID 135551751) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
PubChem CID135551751
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2SC)[nH]c1=O
InChIInChI=1S/C19H21N5O2S/c1-5-13-12(3)20-19(22-17(13)25)24-16(10-11(2)23-24)21-18(26)14-8-6-7-9-15(14)27-4/h6-10H,5H2,1-4H3,(H,21,26)(H,20,22,25)
InChIKeyKJHIZYQJIJRUCX-UHFFFAOYSA-N
XLogP3.11
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide (CID 135551751) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2SC)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
The InChIKey is KJHIZYQJIJRUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-5-13-12(3)20-19(22-17(13)25)24-16(10-11(2)23-24)21-18(26)14-8-6-7-9-15(14)27-4/h6-10H,5H2,1-4H3,(H,21,26)(H,20,22,25).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide has a molecular weight of 383.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 135551751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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