methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate

C14H15N3O2 — CID 66172915

IUPACmethyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C14H15N3O2/c1-10(14(18)19-2)17-12-8-15-13(16-9-12)11-6-4-3-5-7-11/h3-10,17H,1-2H3
InChIKeySDXYQFLYVDIAMG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.12
Rot. Bonds4

About methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate

methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate (PubChem CID 66172915) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate
PubChem CID66172915
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C14H15N3O2/c1-10(14(18)19-2)17-12-8-15-13(16-9-12)11-6-4-3-5-7-11/h3-10,17H,1-2H3
InChIKeySDXYQFLYVDIAMG-UHFFFAOYSA-N
XLogP2.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-anilinopropanoate
CID 3417283
2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol
CID 65337926
methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate
CID 69319766
2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709265
methyl 2-(2-phenylanilino)propanoate
CID 54941069
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid
CID 82535240
3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834
2-(4-phenylanilino)propanamide
CID 60671359
methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411
methyl (2S)-2-[(2-phenylpyrimidin-4-yl)methylamino]propanoate
CID 167991231
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate?
The IUPAC name of methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate (CID 66172915) is methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate is COC(=O)C(C)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate?
The InChIKey is SDXYQFLYVDIAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(14(18)19-2)17-12-8-15-13(16-9-12)11-6-4-3-5-7-11/h3-10,17H,1-2H3.
What are the key properties of methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate?
methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate has a molecular weight of 257.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate is sourced from PubChem (CID 66172915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).