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

C18H22N4O2 — CID 112868921

IUPACmethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C18H22N4O2/c1-13-19-16(12-17(20-13)22-10-6-3-7-11-22)21-15-9-5-4-8-14(15)18(23)24-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyFOMTWMWRWOOMDZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.31
Rot. Bonds4

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

methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate (PubChem CID 112868921) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
PubChem CID112868921
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namemethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(N2CCCCC2)nc(C)n1
InChIInChI=1S/C18H22N4O2/c1-13-19-16(12-17(20-13)22-10-6-3-7-11-22)21-15-9-5-4-8-14(15)18(23)24-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,19,20,21)
InChIKeyFOMTWMWRWOOMDZ-UHFFFAOYSA-N
XLogP3.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate with MolForge

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Related Compounds

ethyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 112868961
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
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
4-[[6-(2-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193329
N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868907
methyl 2-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846397
2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112868587
methyl 2-[[2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112878838
methyl 2-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878803
methyl 2-[[6-(2-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878454
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate (CID 112868921) is methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate is COC(=O)c1ccccc1Nc1cc(N2CCCCC2)nc(C)n1.
What is the InChIKey of methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate?
The InChIKey is FOMTWMWRWOOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-19-16(12-17(20-13)22-10-6-3-7-11-22)21-15-9-5-4-8-14(15)18(23)24-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate?
methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate has a molecular weight of 326.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate is sourced from PubChem (CID 112868921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).