5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine

C19H26N4O3S — CID 126794901

IUPAC5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine
SMILESCCC1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CCN1CCOC
InChIInChI=1S/C19H26N4O3S/c1-3-17-15-23(10-9-22(17)11-12-26-2)27(24,25)18-13-20-19(21-14-18)16-7-5-4-6-8-16/h4-8,13-14,17H,3,9-12,15H2,1-2H3
InChIKeySGROOHABRQAOTL-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.87
Rot. Bonds7

About 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine

5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine (PubChem CID 126794901) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine
PubChem CID126794901
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine
SMILESCCC1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CCN1CCOC
InChIInChI=1S/C19H26N4O3S/c1-3-17-15-23(10-9-22(17)11-12-26-2)27(24,25)18-13-20-19(21-14-18)16-7-5-4-6-8-16/h4-8,13-14,17H,3,9-12,15H2,1-2H3
InChIKeySGROOHABRQAOTL-UHFFFAOYSA-N
XLogP1.87
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 120708463
[5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 63621762
2-phenyl-5-piperazin-1-ylsulfonylpyrimidine
CID 126766963
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 63611082
N-(cyclopropylmethyl)-1-(2-phenylpyrimidin-5-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120711447
1-[3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanone
CID 63620570
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63603562
3-chloro-5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 64600354
(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069731
(2R)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069647
4-(3-chloro-2-methyl-4-pyridinyl)-2-ethyl-1-(2-methoxyethyl)piperazine
CID 75451957

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine?
The IUPAC name of 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine (CID 126794901) is 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine.
What is the SMILES notation for 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine?
The canonical SMILES for 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine is CCC1CN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CCN1CCOC.
What is the InChIKey of 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine?
The InChIKey is SGROOHABRQAOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-17-15-23(10-9-22(17)11-12-26-2)27(24,25)18-13-20-19(21-14-18)16-7-5-4-6-8-16/h4-8,13-14,17H,3,9-12,15H2,1-2H3.
What are the key properties of 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine?
5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine has a molecular weight of 390.51 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-phenylpyrimidine is sourced from PubChem (CID 126794901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).