3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide

C13H21N3O2 — CID 110487358

IUPAC3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide
SMILESCCOc1ncc(CCC(=O)N(CC)CC)cn1
InChIInChI=1S/C13H21N3O2/c1-4-16(5-2)12(17)8-7-11-9-14-13(15-10-11)18-6-3/h9-10H,4-8H2,1-3H3
InChIKeyHYLXJCPRABHMEH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds7

About 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide

3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide (PubChem CID 110487358) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide
PubChem CID110487358
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide
SMILESCCOc1ncc(CCC(=O)N(CC)CC)cn1
InChIInChI=1S/C13H21N3O2/c1-4-16(5-2)12(17)8-7-11-9-14-13(15-10-11)18-6-3/h9-10H,4-8H2,1-3H3
InChIKeyHYLXJCPRABHMEH-UHFFFAOYSA-N
XLogP1.68
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110487346
1-(3-amino-1,2,4-triazol-1-yl)-3-(2-ethoxypyrimidin-5-yl)propan-1-one
CID 110487326
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N,N-diethyl-3-(2-methyl-1H-imidazol-5-yl)propanamide
CID 173265047
3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide
CID 166323979
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
N-ethyl-N-[(3-methoxycyclopentyl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)propanamide
CID 144525801
3-(5-amino-2-ethoxy-3-methoxyphenyl)-N,N-diethylpropanamide
CID 82070904
3-(2-ethoxypyrimidin-5-yl)prop-2-enoic acid
CID 169460467
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070927
1-(2-methoxypyrimidin-5-yl)-5-methylhexan-3-one
CID 157118625
3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823966

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide?
The IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide (CID 110487358) is 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide?
The canonical SMILES for 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide is CCOc1ncc(CCC(=O)N(CC)CC)cn1.
What is the InChIKey of 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide?
The InChIKey is HYLXJCPRABHMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16(5-2)12(17)8-7-11-9-14-13(15-10-11)18-6-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide?
3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide is sourced from PubChem (CID 110487358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).