3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide

C16H20N4O2 — CID 166323979

IUPAC3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide
SMILESCCOc1ncc(CNc2ccc(CCC(N)=O)cc2)cn1
InChIInChI=1S/C16H20N4O2/c1-2-22-16-19-10-13(11-20-16)9-18-14-6-3-12(4-7-14)5-8-15(17)21/h3-4,6-7,10-11,18H,2,5,8-9H2,1H3,(H2,17,21)
InChIKeyLKAMNJRLFJQFHT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.91
Rot. Bonds8

About 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide

3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide (PubChem CID 166323979) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide
PubChem CID166323979
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide
SMILESCCOc1ncc(CNc2ccc(CCC(N)=O)cc2)cn1
InChIInChI=1S/C16H20N4O2/c1-2-22-16-19-10-13(11-20-16)9-18-14-6-3-12(4-7-14)5-8-15(17)21/h3-4,6-7,10-11,18H,2,5,8-9H2,1H3,(H2,17,21)
InChIKeyLKAMNJRLFJQFHT-UHFFFAOYSA-N
XLogP1.91
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
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3-(4-propylanilino)propanamide
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3-(2-ethoxypyrimidin-5-yl)-N,N-diethylpropanamide
CID 110487358
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
3-(2-ethoxypyrimidin-5-yl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110487346
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
4-[4-[(2-ethoxyphenyl)methylamino]phenyl]butanoic acid
CID 21037057
1-(3-amino-1,2,4-triazol-1-yl)-3-(2-ethoxypyrimidin-5-yl)propan-1-one
CID 110487326
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821830

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide?
The IUPAC name of 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide (CID 166323979) is 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide.
What is the SMILES notation for 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide?
The canonical SMILES for 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide is CCOc1ncc(CNc2ccc(CCC(N)=O)cc2)cn1.
What is the InChIKey of 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide?
The InChIKey is LKAMNJRLFJQFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-22-16-19-10-13(11-20-16)9-18-14-6-3-12(4-7-14)5-8-15(17)21/h3-4,6-7,10-11,18H,2,5,8-9H2,1H3,(H2,17,21).
What are the key properties of 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide?
3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide has a molecular weight of 300.36 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-ethoxypyrimidin-5-yl)methylamino]phenyl]propanamide is sourced from PubChem (CID 166323979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).