5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine

C11H16BrClN4O2S — CID 134157397

IUPAC5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H16BrClN4O2S/c1-2-7-20(18,19)17-5-3-16(4-6-17)10-9(12)8-14-11(13)15-10/h8H,2-7H2,1H3
InChIKeyOAAOAJVXZHNUNX-UHFFFAOYSA-N
MW383.70 g/mol
LogP1.75
Rot. Bonds4

About 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine

5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 134157397) has the molecular formula C11H16BrClN4O2S and a molecular weight of 383.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID134157397
Molecular FormulaC11H16BrClN4O2S
Molecular Weight383.70 g/mol
Exact Mass381.99
IUPAC Name5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H16BrClN4O2S/c1-2-7-20(18,19)17-5-3-16(4-6-17)10-9(12)8-14-11(13)15-10/h8H,2-7H2,1H3
InChIKeyOAAOAJVXZHNUNX-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-2-chloro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 79072608
4-[5-Bromo-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 134134575
4-[5-Bromo-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 134131969
5-Bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine
CID 134150012
4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
[1-(5-Bromopyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 60301772
N-[[(3S)-1-(5-bromopyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 164629376
(3S)-1-(5-bromopyrimidin-4-yl)pyrrolidine-3-sulfonamide
CID 164643242
4-(2-Chloro-5-fluoropyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 79081645
2-Chloro-5-fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 79081861
5-fluoro-N-methyl-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 80830868
5-Fluoro-4-(4-methylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 80830936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine (CID 134157397) is 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine is CCCS(=O)(=O)N1CCN(c2nc(Cl)ncc2Br)CC1.
What is the InChIKey of 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is OAAOAJVXZHNUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN4O2S/c1-2-7-20(18,19)17-5-3-16(4-6-17)10-9(12)8-14-11(13)15-10/h8H,2-7H2,1H3.
What are the key properties of 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 383.70 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 134157397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).