N-(4,6-diethoxypyrimidin-5-yl)propanamide

C11H17N3O3 — CID 139920588

IUPACN-(4,6-diethoxypyrimidin-5-yl)propanamide
SMILESCCOc1ncnc(OCC)c1NC(=O)CC
InChIInChI=1S/C11H17N3O3/c1-4-8(15)14-9-10(16-5-2)12-7-13-11(9)17-6-3/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyKDFNTEPLWUQAJZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.62
Rot. Bonds6

About N-(4,6-diethoxypyrimidin-5-yl)propanamide

N-(4,6-diethoxypyrimidin-5-yl)propanamide (PubChem CID 139920588) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(4,6-diethoxypyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(4,6-diethoxypyrimidin-5-yl)propanamide
PubChem CID139920588
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(4,6-diethoxypyrimidin-5-yl)propanamide
SMILESCCOc1ncnc(OCC)c1NC(=O)CC
InChIInChI=1S/C11H17N3O3/c1-4-8(15)14-9-10(16-5-2)12-7-13-11(9)17-6-3/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyKDFNTEPLWUQAJZ-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-(4,6-diethoxypyrimidin-5-yl)propanamide?
The IUPAC name of N-(4,6-diethoxypyrimidin-5-yl)propanamide (CID 139920588) is N-(4,6-diethoxypyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(4,6-diethoxypyrimidin-5-yl)propanamide?
The canonical SMILES for N-(4,6-diethoxypyrimidin-5-yl)propanamide is CCOc1ncnc(OCC)c1NC(=O)CC.
What is the InChIKey of N-(4,6-diethoxypyrimidin-5-yl)propanamide?
The InChIKey is KDFNTEPLWUQAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-8(15)14-9-10(16-5-2)12-7-13-11(9)17-6-3/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-(4,6-diethoxypyrimidin-5-yl)propanamide?
N-(4,6-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-(4,6-diethoxypyrimidin-5-yl)propanamide is sourced from PubChem (CID 139920588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).