2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide

C16H20N4O3 — CID 77479086

IUPAC2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide
SMILESCCOc1cc(Oc2ncc(NC(=O)C(C)N)cn2)ccc1C
InChIInChI=1S/C16H20N4O3/c1-4-22-14-7-13(6-5-10(14)2)23-16-18-8-12(9-19-16)20-15(21)11(3)17/h5-9,11H,4,17H2,1-3H3,(H,20,21)
InChIKeySZOSXSQVYOSYEQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.26
Rot. Bonds6

About 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide

2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide (PubChem CID 77479086) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide
PubChem CID77479086
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide
SMILESCCOc1cc(Oc2ncc(NC(=O)C(C)N)cn2)ccc1C
InChIInChI=1S/C16H20N4O3/c1-4-22-14-7-13(6-5-10(14)2)23-16-18-8-12(9-19-16)20-15(21)11(3)17/h5-9,11H,4,17H2,1-3H3,(H,20,21)
InChIKeySZOSXSQVYOSYEQ-UHFFFAOYSA-N
XLogP2.26
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
CID 67235119
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
2-(3-ethoxy-4-methylphenoxy)-5-nitropyrimidine
CID 67236723
tert-butyl N-[(2R)-1-[[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamate
CID 70975813
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302267
(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
CID 131859212
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide?
The IUPAC name of 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide (CID 77479086) is 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide?
The canonical SMILES for 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide is CCOc1cc(Oc2ncc(NC(=O)C(C)N)cn2)ccc1C.
What is the InChIKey of 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide?
The InChIKey is SZOSXSQVYOSYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-4-22-14-7-13(6-5-10(14)2)23-16-18-8-12(9-19-16)20-15(21)11(3)17/h5-9,11H,4,17H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide?
2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide has a molecular weight of 316.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 77479086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).