N-(2,4-diethoxypyrimidin-5-yl)propanamide

C11H17N3O3 — CID 71807604

IUPACN-(2,4-diethoxypyrimidin-5-yl)propanamide
SMILESCCOc1ncc(NC(=O)CC)c(OCC)n1
InChIInChI=1S/C11H17N3O3/c1-4-9(15)13-8-7-12-11(17-6-3)14-10(8)16-5-2/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyNCNUOHAFMIFFHH-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.62
Rot. Bonds6

About N-(2,4-diethoxypyrimidin-5-yl)propanamide

N-(2,4-diethoxypyrimidin-5-yl)propanamide (PubChem CID 71807604) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)propanamide
PubChem CID71807604
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)propanamide
SMILESCCOc1ncc(NC(=O)CC)c(OCC)n1
InChIInChI=1S/C11H17N3O3/c1-4-9(15)13-8-7-12-11(17-6-3)14-10(8)16-5-2/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyNCNUOHAFMIFFHH-UHFFFAOYSA-N
XLogP1.62
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)propanamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)propanamide (CID 71807604) is N-(2,4-diethoxypyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)propanamide is CCOc1ncc(NC(=O)CC)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)propanamide?
The InChIKey is NCNUOHAFMIFFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-9(15)13-8-7-12-11(17-6-3)14-10(8)16-5-2/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)propanamide?
N-(2,4-diethoxypyrimidin-5-yl)propanamide has a molecular weight of 239.27 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)propanamide is sourced from PubChem (CID 71807604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).