4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid

C21H26N4O5S — CID 53214993

IUPAC4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1N1CCOCC1
InChIInChI=1S/C21H26N4O5S/c26-21(27)18-15-22-19(23-20(18)24-11-13-30-14-12-24)8-5-16-3-6-17(7-4-16)31(28,29)25-9-1-2-10-25/h3-4,6-7,15H,1-2,5,8-14H2,(H,26,27)
InChIKeyCDGWFVIJGSXICV-UHFFFAOYSA-N
MW446.53 g/mol
LogP1.58
Rot. Bonds7

About 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid

4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid (PubChem CID 53214993) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid
PubChem CID53214993
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC Name4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1N1CCOCC1
InChIInChI=1S/C21H26N4O5S/c26-21(27)18-15-22-19(23-20(18)24-11-13-30-14-12-24)8-5-16-3-6-17(7-4-16)31(28,29)25-9-1-2-10-25/h3-4,6-7,15H,1-2,5,8-14H2,(H,26,27)
InChIKeyCDGWFVIJGSXICV-UHFFFAOYSA-N
XLogP1.58
TPSA112.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-pyrrolidin-1-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid
CID 53214919
6-oxo-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1H-pyrimidine-5-carboxylic acid
CID 53214769
2-[[(4-chlorophenyl)sulfonyl-ethylamino]methyl]-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214990
4-methyl-2-[(4-piperidin-1-ylsulfonylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 100802354
5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53056710
N-(2-phenylethyl)-N'-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30126597
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55844654
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55587783

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid (CID 53214993) is 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid is O=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1N1CCOCC1.
What is the InChIKey of 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid?
The InChIKey is CDGWFVIJGSXICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c26-21(27)18-15-22-19(23-20(18)24-11-13-30-14-12-24)8-5-16-3-6-17(7-4-16)31(28,29)25-9-1-2-10-25/h3-4,6-7,15H,1-2,5,8-14H2,(H,26,27).
What are the key properties of 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid?
4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid has a molecular weight of 446.53 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53214993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).