2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C14H11BrFN3OS — CID 62193620

IUPAC2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COc2ccc(Br)cc2F)nc2sccc12
InChIInChI=1S/C14H11BrFN3OS/c1-17-13-9-4-5-21-14(9)19-12(18-13)7-20-11-3-2-8(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyIDHMQPZWIKHFIR-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.21
Rot. Bonds4

About 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62193620) has the molecular formula C14H11BrFN3OS and a molecular weight of 368.23 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62193620
Molecular FormulaC14H11BrFN3OS
Molecular Weight368.23 g/mol
Exact Mass366.98
IUPAC Name2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COc2ccc(Br)cc2F)nc2sccc12
InChIInChI=1S/C14H11BrFN3OS/c1-17-13-9-4-5-21-14(9)19-12(18-13)7-20-11-3-2-8(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyIDHMQPZWIKHFIR-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-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

[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63216895
2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62193522
2-[(3-chloro-4-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63879527
2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907043
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63649558
2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193500
N-methyl-2-(3,3,3-trifluoropropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82956781
N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194454
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62183349
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62189947
2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine
CID 62187778

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62193620) is 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(COc2ccc(Br)cc2F)nc2sccc12.
What is the InChIKey of 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IDHMQPZWIKHFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3OS/c1-17-13-9-4-5-21-14(9)19-12(18-13)7-20-11-3-2-8(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 368.23 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62193620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).