N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide

C10H15N3OS — CID 766323

IUPACN-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide
SMILESCCSc1cc(C)nc(NC(=O)CC)n1
InChIInChI=1S/C10H15N3OS/c1-4-8(14)12-10-11-7(3)6-9(13-10)15-5-2/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyJDWXJSNIZWVWHV-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.25
Rot. Bonds4

About N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide

N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide (PubChem CID 766323) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide
PubChem CID766323
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide
SMILESCCSc1cc(C)nc(NC(=O)CC)n1
InChIInChI=1S/C10H15N3OS/c1-4-8(14)12-10-11-7(3)6-9(13-10)15-5-2/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyJDWXJSNIZWVWHV-UHFFFAOYSA-N
XLogP2.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide?
The IUPAC name of N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide (CID 766323) is N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide?
The canonical SMILES for N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide is CCSc1cc(C)nc(NC(=O)CC)n1.
What is the InChIKey of N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide?
The InChIKey is JDWXJSNIZWVWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-4-8(14)12-10-11-7(3)6-9(13-10)15-5-2/h6H,4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide?
N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide has a molecular weight of 225.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanyl-6-methylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 766323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).