2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide

C24H32Br2N4S2 — CID 11849601

IUPAC2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide
SMILESBr.Br.CN(C)CCSc1ccc(-c2cc(-c3ccc(SCCN(C)C)cc3)ncn2)cc1
InChIInChI=1S/C24H30N4S2.2BrH/c1-27(2)13-15-29-21-9-5-19(6-10-21)23-17-24(26-18-25-23)20-7-11-22(12-8-20)30-16-14-28(3)4;;/h5-12,17-18H,13-16H2,1-4H3;2*1H
InChIKeyHNHKYRPRTNJRMF-UHFFFAOYSA-N
MW600.49 g/mol
LogP6.27
Rot. Bonds10

About 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide

2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide (PubChem CID 11849601) has the molecular formula C24H32Br2N4S2 and a molecular weight of 600.49 g/mol. Its IUPAC name is 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide.

Molecular Properties

Compound Name2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide
PubChem CID11849601
Molecular FormulaC24H32Br2N4S2
Molecular Weight600.49 g/mol
Exact Mass598.04
IUPAC Name2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide
SMILESBr.Br.CN(C)CCSc1ccc(-c2cc(-c3ccc(SCCN(C)C)cc3)ncn2)cc1
InChIInChI=1S/C24H30N4S2.2BrH/c1-27(2)13-15-29-21-9-5-19(6-10-21)23-17-24(26-18-25-23)20-7-11-22(12-8-20)30-16-14-28(3)4;;/h5-12,17-18H,13-16H2,1-4H3;2*1H
InChIKeyHNHKYRPRTNJRMF-UHFFFAOYSA-N
XLogP6.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.49
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide?
The IUPAC name of 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide (CID 11849601) is 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide.
What is the SMILES notation for 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide?
The canonical SMILES for 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide is Br.Br.CN(C)CCSc1ccc(-c2cc(-c3ccc(SCCN(C)C)cc3)ncn2)cc1.
What is the InChIKey of 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide?
The InChIKey is HNHKYRPRTNJRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4S2.2BrH/c1-27(2)13-15-29-21-9-5-19(6-10-21)23-17-24(26-18-25-23)20-7-11-22(12-8-20)30-16-14-28(3)4;;/h5-12,17-18H,13-16H2,1-4H3;2*1H.
What are the key properties of 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide?
2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide has a molecular weight of 600.49 g/mol, XLogP of 6.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine;dihydrobromide is sourced from PubChem (CID 11849601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).