2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide

C14H23N3O2S — CID 42739055

IUPAC2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide
SMILESCCc1cc(=O)n(C)c(SC(C)C(=O)NCC(C)C)n1
InChIInChI=1S/C14H23N3O2S/c1-6-11-7-12(18)17(5)14(16-11)20-10(4)13(19)15-8-9(2)3/h7,9-10H,6,8H2,1-5H3,(H,15,19)
InChIKeyAIYXRTQTTBTZRU-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.60
Rot. Bonds6

About 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide

2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide (PubChem CID 42739055) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide
PubChem CID42739055
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide
SMILESCCc1cc(=O)n(C)c(SC(C)C(=O)NCC(C)C)n1
InChIInChI=1S/C14H23N3O2S/c1-6-11-7-12(18)17(5)14(16-11)20-10(4)13(19)15-8-9(2)3/h7,9-10H,6,8H2,1-5H3,(H,15,19)
InChIKeyAIYXRTQTTBTZRU-UHFFFAOYSA-N
XLogP1.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide (CID 42739055) is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide is CCc1cc(=O)n(C)c(SC(C)C(=O)NCC(C)C)n1.
What is the InChIKey of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide?
The InChIKey is AIYXRTQTTBTZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-6-11-7-12(18)17(5)14(16-11)20-10(4)13(19)15-8-9(2)3/h7,9-10H,6,8H2,1-5H3,(H,15,19).
What are the key properties of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide?
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide has a molecular weight of 297.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 42739055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).