4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid

C15H16N4O3 — CID 113192860

IUPAC4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C15H16N4O3/c20-15(21)11-1-3-12(4-2-11)18-13-9-14(17-10-16-13)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2,(H,20,21)(H,16,17,18)
InChIKeyWNIOXGBGQQDJLE-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.75
Rot. Bonds4

About 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid

4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid (PubChem CID 113192860) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
PubChem CID113192860
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2cc(N3CCOCC3)ncn2)cc1
InChIInChI=1S/C15H16N4O3/c20-15(21)11-1-3-12(4-2-11)18-13-9-14(17-10-16-13)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2,(H,20,21)(H,16,17,18)
InChIKeyWNIOXGBGQQDJLE-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

methyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112857139
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856
5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-1-benzoselenophene-2-carboxylic acid
CID 142736991
N-(3,5-dichlorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857173
6-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
CID 122282498
1-[4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112862340
3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544249
N-(6-morpholin-4-ylpyrimidin-4-yl)naphthalene-2-carboxamide
CID 90544116
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
4-[[6-(4-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192964
4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoic acid
CID 69162548
N-(6-morpholin-4-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544119

Frequently Asked Questions

What is the IUPAC name of 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid?
The IUPAC name of 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid (CID 113192860) is 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid?
The canonical SMILES for 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2cc(N3CCOCC3)ncn2)cc1.
What is the InChIKey of 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid?
The InChIKey is WNIOXGBGQQDJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-15(21)11-1-3-12(4-2-11)18-13-9-14(17-10-16-13)19-5-7-22-8-6-19/h1-4,9-10H,5-8H2,(H,20,21)(H,16,17,18).
What are the key properties of 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid?
4-[(6-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 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid is sourced from PubChem (CID 113192860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).