ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate

C16H19N3O2 — CID 170884928

IUPACethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate
SMILESCCOC(=O)C(N)Cc1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C16H19N3O2/c1-3-21-16(20)14(17)9-13-10-18-15(19-11(13)2)12-7-5-4-6-8-12/h4-8,10,14H,3,9,17H2,1-2H3
InChIKeyJADVGQJINFFDHF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.88
Rot. Bonds5

About ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate

ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate (PubChem CID 170884928) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate
PubChem CID170884928
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate
SMILESCCOC(=O)C(N)Cc1cnc(-c2ccccc2)nc1C
InChIInChI=1S/C16H19N3O2/c1-3-21-16(20)14(17)9-13-10-18-15(19-11(13)2)12-7-5-4-6-8-12/h4-8,10,14H,3,9,17H2,1-2H3
InChIKeyJADVGQJINFFDHF-UHFFFAOYSA-N
XLogP1.88
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine
CID 170888827
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
CID 170884921
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
CID 66518197
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate (CID 170884928) is ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate is CCOC(=O)C(N)Cc1cnc(-c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate?
The InChIKey is JADVGQJINFFDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-21-16(20)14(17)9-13-10-18-15(19-11(13)2)12-7-5-4-6-8-12/h4-8,10,14H,3,9,17H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate?
ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate has a molecular weight of 285.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate is sourced from PubChem (CID 170884928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).