2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid

C15H14Cl2N4O3 — CID 88937603

IUPAC2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(c2ccc(Nc3nc(Cl)ncc3Cl)cc2)C1
InChIInChI=1S/C15H14Cl2N4O3/c16-11-7-18-14(17)20-13(11)19-10-3-1-9(2-4-10)12-8-21(15(22)23)5-6-24-12/h1-4,7,12H,5-6,8H2,(H,22,23)(H,18,19,20)
InChIKeyOCBQRIVNDXMEDA-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.58
Rot. Bonds3

About 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid

2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid (PubChem CID 88937603) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid
PubChem CID88937603
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(c2ccc(Nc3nc(Cl)ncc3Cl)cc2)C1
InChIInChI=1S/C15H14Cl2N4O3/c16-11-7-18-14(17)20-13(11)19-10-3-1-9(2-4-10)12-8-21(15(22)23)5-6-24-12/h1-4,7,12H,5-6,8H2,(H,22,23)(H,18,19,20)
InChIKeyOCBQRIVNDXMEDA-UHFFFAOYSA-N
XLogP3.58
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)morpholine-4-carboxylic acid
CID 66705901
2-[4-[[1-(3-chloropyrazin-2-yl)pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 89262375
(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid
CID 66862110
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 86859216
2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
CID 91591906
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
2-[4-[[1-[4-(difluoromethoxy)phenyl]pyrazole-3-carbonyl]amino]phenyl]morpholine-4-carboxylic acid
CID 71087967
2-(5-bromopyrimidin-2-yl)morpholine-4-carboxylic acid
CID 118484405
[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 96556883
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 170722933
(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 130429737

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid (CID 88937603) is 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid is O=C(O)N1CCOC(c2ccc(Nc3nc(Cl)ncc3Cl)cc2)C1.
What is the InChIKey of 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid?
The InChIKey is OCBQRIVNDXMEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c16-11-7-18-14(17)20-13(11)19-10-3-1-9(2-4-10)12-8-21(15(22)23)5-6-24-12/h1-4,7,12H,5-6,8H2,(H,22,23)(H,18,19,20).
What are the key properties of 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid?
2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid has a molecular weight of 369.21 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 88937603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).