ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate

C19H24N4O2 — CID 112868961

IUPACethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C19H24N4O2/c1-3-25-19(24)15-9-5-6-10-16(15)22-17-13-18(21-14(2)20-17)23-11-7-4-8-12-23/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,20,21,22)
InChIKeyDGLBFVPLWWMEOO-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.70
Rot. Bonds5

About ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate

ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate (PubChem CID 112868961) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
PubChem CID112868961
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nameethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C19H24N4O2/c1-3-25-19(24)15-9-5-6-10-16(15)22-17-13-18(21-14(2)20-17)23-11-7-4-8-12-23/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,20,21,22)
InChIKeyDGLBFVPLWWMEOO-UHFFFAOYSA-N
XLogP3.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868921
ethyl 2-[[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877285
ethyl 2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877329
N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868907
ethyl 2-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877855
ethyl 2-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112883979
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
ethyl 2-[[2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112879132
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
2-[[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194821
ethyl 2-[[2-methyl-6-(propylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109360363
ethyl 2-[[6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109367561

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate (CID 112868961) is ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate is CCOC(=O)c1ccccc1Nc1cc(N2CCCCC2)nc(C)n1.
What is the InChIKey of ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate?
The InChIKey is DGLBFVPLWWMEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-25-19(24)15-9-5-6-10-16(15)22-17-13-18(21-14(2)20-17)23-11-7-4-8-12-23/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate?
ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate has a molecular weight of 340.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate is sourced from PubChem (CID 112868961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).