6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid

C14H14N4O3 — CID 82170295

IUPAC6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C14H14N4O3/c19-14(20)11-9-12(18-5-7-21-8-6-18)17-13(16-11)10-1-3-15-4-2-10/h1-4,9H,5-8H2,(H,19,20)
InChIKeyFISYVLQMRZGUPC-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.07
Rot. Bonds3

About 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid

6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid (PubChem CID 82170295) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
PubChem CID82170295
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCOCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C14H14N4O3/c19-14(20)11-9-12(18-5-7-21-8-6-18)17-13(16-11)10-1-3-15-4-2-10/h1-4,9H,5-8H2,(H,19,20)
InChIKeyFISYVLQMRZGUPC-UHFFFAOYSA-N
XLogP1.07
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
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
6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170284
4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 1378888
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(6-morpholin-4-yl-2-phenylpyrimidine-4-carbonyl)amino]-5-oxopentanoic acid
CID 67460314
methyl 4-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)oxybenzoate
CID 23827389
4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenylpyrimidin-4-yl]morpholine
CID 5091017

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid (CID 82170295) is 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid is O=C(O)c1cc(N2CCOCC2)nc(-c2ccncc2)n1.
What is the InChIKey of 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid?
The InChIKey is FISYVLQMRZGUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-14(20)11-9-12(18-5-7-21-8-6-18)17-13(16-11)10-1-3-15-4-2-10/h1-4,9H,5-8H2,(H,19,20).
What are the key properties of 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid?
6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).