2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid

C15H16N4O3 — CID 698340

IUPAC2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C15H16N4O3/c20-14(21)11-3-1-2-4-12(11)17-13-5-6-16-15(18-13)19-7-9-22-10-8-19/h1-6H,7-10H2,(H,20,21)(H,16,17,18)
InChIKeyVGXOHHLFMRANGE-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.75
Rot. Bonds4

About 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid

2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid (PubChem CID 698340) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
PubChem CID698340
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C15H16N4O3/c20-14(21)11-3-1-2-4-12(11)17-13-5-6-16-15(18-13)19-7-9-22-10-8-19/h1-6H,7-10H2,(H,20,21)(H,16,17,18)
InChIKeyVGXOHHLFMRANGE-UHFFFAOYSA-N
XLogP1.75
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 1288339
methyl 2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]naphthalen-1-yl]-2-oxoacetate
CID 59379827
2-morpholin-4-yl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112886621
ethyl 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]benzoate
CID 112897560
N-benzyl-2-morpholin-4-ylpyrimidin-4-amine
CID 46891015
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112886627
5-tert-butyl-3-[[2-[4-[(2-morpholin-4-ylpyrimidin-4-yl)amino]naphthalen-1-yl]-2-oxoacetyl]amino]thiophene-2-carboxylic acid
CID 123291944
[2-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 68760220
4-[[(2-morpholin-4-ylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 122048301

Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid?
The IUPAC name of 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid (CID 698340) is 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid?
The canonical SMILES for 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid is O=C(O)c1ccccc1Nc1ccnc(N2CCOCC2)n1.
What is the InChIKey of 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid?
The InChIKey is VGXOHHLFMRANGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-14(21)11-3-1-2-4-12(11)17-13-5-6-16-15(18-13)19-7-9-22-10-8-19/h1-6H,7-10H2,(H,20,21)(H,16,17,18).
What are the key properties of 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid?
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid has a molecular weight of 300.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid is sourced from PubChem (CID 698340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).