N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine

C11H11BrClN3S2 — CID 114139531

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C11H11BrClN3S2/c1-17-11-15-9(13)6-10(16-11)14-5-4-7-2-3-8(12)18-7/h2-3,6H,4-5H2,1H3,(H,14,15,16)
InChIKeyDITKFOFWVMVIDM-UHFFFAOYSA-N
MW364.72 g/mol
LogP4.33
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine (PubChem CID 114139531) has the molecular formula C11H11BrClN3S2 and a molecular weight of 364.72 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine
PubChem CID114139531
Molecular FormulaC11H11BrClN3S2
Molecular Weight364.72 g/mol
Exact Mass362.93
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C11H11BrClN3S2/c1-17-11-15-9(13)6-10(16-11)14-5-4-7-2-3-8(12)18-7/h2-3,6H,4-5H2,1H3,(H,14,15,16)
InChIKeyDITKFOFWVMVIDM-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.72
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine 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

6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 71671580
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-4-nitropyridin-2-amine
CID 114139533
4-N-[2-(5-bromothiophen-2-yl)ethyl]pyrimidine-2,4,6-triamine
CID 114139836
6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80547131
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
N-benzyl-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 4190856
6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106195075
6-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106196856
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
6-N-[2-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106043006
N-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80545291
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine (CID 114139531) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(NCCc2ccc(Br)s2)n1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is DITKFOFWVMVIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3S2/c1-17-11-15-9(13)6-10(16-11)14-5-4-7-2-3-8(12)18-7/h2-3,6H,4-5H2,1H3,(H,14,15,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 364.72 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 114139531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).