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

C11H14BrClN4O2S — CID 134150012

IUPAC5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine
SMILESO=S(=O)(C1CC1)N1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H14BrClN4O2S/c12-9-7-14-11(13)15-10(9)16-3-5-17(6-4-16)20(18,19)8-1-2-8/h7-8H,1-6H2
InChIKeyGENXPOJAWLVHDN-UHFFFAOYSA-N
MW381.68 g/mol
LogP1.51
Rot. Bonds3

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

5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 134150012) has the molecular formula C11H14BrClN4O2S and a molecular weight of 381.68 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID134150012
Molecular FormulaC11H14BrClN4O2S
Molecular Weight381.68 g/mol
Exact Mass379.97
IUPAC Name5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine
SMILESO=S(=O)(C1CC1)N1CCN(c2nc(Cl)ncc2Br)CC1
InChIInChI=1S/C11H14BrClN4O2S/c12-9-7-14-11(13)15-10(9)16-3-5-17(6-4-16)20(18,19)8-1-2-8/h7-8H,1-6H2
InChIKeyGENXPOJAWLVHDN-UHFFFAOYSA-N
XLogP1.51
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 51.51
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
5-Bromo-2-chloro-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 134157397
[1-(5-Bromopyrimidin-2-yl)piperidin-4-yl]methanesulfonamide
CID 60301772
(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
2-[4-(Cyclopropanesulfonyl)piperazin-1-yl]-5-fluoropyrimidine
CID 145914315
N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 154582501
1-(Cyclopropanesulfonyl)-4-(5-fluoropyrimidin-4-yl)-1,4-diazepane
CID 163343909
5-Fluoro-4-(4-methanesulfonylpiperazin-1-yl)pyrimidine
CID 171690527
4-[4-(Cyclopropanesulfonyl)piperazin-1-yl]-5-fluoropyrimidine
CID 175648838

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine (CID 134150012) is 5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine is O=S(=O)(C1CC1)N1CCN(c2nc(Cl)ncc2Br)CC1.
What is the InChIKey of 5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is GENXPOJAWLVHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4O2S/c12-9-7-14-11(13)15-10(9)16-3-5-17(6-4-16)20(18,19)8-1-2-8/h7-8H,1-6H2.
What are the key properties of 5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine?
5-bromo-2-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 381.68 g/mol, XLogP of 1.51, 3 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-cyclopropylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 134150012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).