ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate

C15H17N3O2 — CID 62749628

IUPACethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
SMILESCCOC(=O)c1ccccc1NCc1ccnc(C)n1
InChIInChI=1S/C15H17N3O2/c1-3-20-15(19)13-6-4-5-7-14(13)17-10-12-8-9-16-11(2)18-12/h4-9,17H,3,10H2,1-2H3
InChIKeyJMTUUVJFTCHLKL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.57
Rot. Bonds5

About ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate

ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate (PubChem CID 62749628) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
PubChem CID62749628
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
SMILESCCOC(=O)c1ccccc1NCc1ccnc(C)n1
InChIInChI=1S/C15H17N3O2/c1-3-20-15(19)13-6-4-5-7-14(13)17-10-12-8-9-16-11(2)18-12/h4-9,17H,3,10H2,1-2H3
InChIKeyJMTUUVJFTCHLKL-UHFFFAOYSA-N
XLogP2.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62748401
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386
ethyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526595
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747320
ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate
CID 43663374
ethyl 2-(propylamino)benzoate
CID 15662762
ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate
CID 43322204
ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate
CID 55109855
ethyl 2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410244
ethyl 2-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326977
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate?
The IUPAC name of ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate (CID 62749628) is ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate?
The canonical SMILES for ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate is CCOC(=O)c1ccccc1NCc1ccnc(C)n1.
What is the InChIKey of ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate?
The InChIKey is JMTUUVJFTCHLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-15(19)13-6-4-5-7-14(13)17-10-12-8-9-16-11(2)18-12/h4-9,17H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate?
ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate has a molecular weight of 271.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate is sourced from PubChem (CID 62749628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).