2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid

C15H16N4O3 — CID 143633269

IUPAC2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESNc1ccc(-c2nc(C(=O)O)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H16N4O3/c16-11-3-1-10(2-4-11)14-17-12(15(20)21)9-13(18-14)19-5-7-22-8-6-19/h1-4,9H,5-8,16H2,(H,20,21)
InChIKeyPORYIDCWAMLNSJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.26
Rot. Bonds3

About 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid

2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid (PubChem CID 143633269) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
PubChem CID143633269
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
SMILESNc1ccc(-c2nc(C(=O)O)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C15H16N4O3/c16-11-3-1-10(2-4-11)14-17-12(15(20)21)9-13(18-14)19-5-7-22-8-6-19/h1-4,9H,5-8,16H2,(H,20,21)
InChIKeyPORYIDCWAMLNSJ-UHFFFAOYSA-N
XLogP1.26
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82170295
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
ethane;4-[4-(ethylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143633077
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415
2-[4-(cyclopropylcarbamoylamino)phenyl]-N-(1-methylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 143633351
ethanamine;formaldehyde;4-[4-morpholin-4-yl-6-(2-propan-2-ylsulfanylpropan-2-yl)pyrimidin-2-yl]aniline
CID 143633131
4-[4-morpholin-4-yl-6-(pyridin-2-ylsulfanylmethyl)pyrimidin-2-yl]aniline
CID 143633228
4-[4-morpholin-4-yl-6-(1-pyridin-4-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline
CID 143741656
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(6-morpholin-4-yl-2-phenylpyrimidine-4-carbonyl)amino]-5-oxopentanoic acid
CID 67460314

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid (CID 143633269) is 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid is Nc1ccc(-c2nc(C(=O)O)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid?
The InChIKey is PORYIDCWAMLNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-11-3-1-10(2-4-11)14-17-12(15(20)21)9-13(18-14)19-5-7-22-8-6-19/h1-4,9H,5-8,16H2,(H,20,21).
What are the key properties of 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid?
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 143633269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).