3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide

C12H19N3O3 — CID 110487346

IUPAC3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCCOc1ncc(CCC(=O)N(C)CCO)cn1
InChIInChI=1S/C12H19N3O3/c1-3-18-12-13-8-10(9-14-12)4-5-11(17)15(2)6-7-16/h8-9,16H,3-7H2,1-2H3
InChIKeyJDTOJPXAYXBUSD-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.26
Rot. Bonds7

About 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide

3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide (PubChem CID 110487346) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide
PubChem CID110487346
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCCOc1ncc(CCC(=O)N(C)CCO)cn1
InChIInChI=1S/C12H19N3O3/c1-3-18-12-13-8-10(9-14-12)4-5-11(17)15(2)6-7-16/h8-9,16H,3-7H2,1-2H3
InChIKeyJDTOJPXAYXBUSD-UHFFFAOYSA-N
XLogP0.26
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide
CID 110487358
(E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 110488953
1-(3-amino-1,2,4-triazol-1-yl)-3-(2-ethoxypyrimidin-5-yl)propan-1-one
CID 110487326
2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
3-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886057
3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60740275
3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide
CID 166323979
3-(3-amino-4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 82071511
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886031
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide (CID 110487346) is 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The canonical SMILES for 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide is CCOc1ncc(CCC(=O)N(C)CCO)cn1.
What is the InChIKey of 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The InChIKey is JDTOJPXAYXBUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-18-12-13-8-10(9-14-12)4-5-11(17)15(2)6-7-16/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide?
3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide has a molecular weight of 253.30 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide is sourced from PubChem (CID 110487346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).