N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine

C13H9BrClN3OS — CID 103322284

IUPACN-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(Br)cc(Nc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C13H9BrClN3OS/c1-19-9-5-7(14)4-8(6-9)16-11-10-2-3-20-12(10)18-13(15)17-11/h2-6H,1H3,(H,16,17,18)
InChIKeyWIGGUMAKAPSHSJ-UHFFFAOYSA-N
MW370.66 g/mol
LogP4.86
Rot. Bonds3

About N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine

N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322284) has the molecular formula C13H9BrClN3OS and a molecular weight of 370.66 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
PubChem CID103322284
Molecular FormulaC13H9BrClN3OS
Molecular Weight370.66 g/mol
Exact Mass368.93
IUPAC NameN-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(Br)cc(Nc2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C13H9BrClN3OS/c1-19-9-5-7(14)4-8(6-9)16-11-10-2-3-20-12(10)18-13(15)17-11/h2-6H,1H3,(H,16,17,18)
InChIKeyWIGGUMAKAPSHSJ-UHFFFAOYSA-N
XLogP4.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.66
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323394
2-chloro-N-(3,5-dichloro-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107576856
2-chloro-N-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066169
2-chloro-N-(2,5-dibromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320957
2-chloro-N-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066220
4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82066162
methyl 3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 93214104
2-chloro-N-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320380
N-(5-bromo-2-iodophenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 114261123
4-bromo-2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 107800057
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
CID 114837346

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine (CID 103322284) is N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine is COc1cc(Br)cc(Nc2nc(Cl)nc3sccc23)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WIGGUMAKAPSHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3OS/c1-19-9-5-7(14)4-8(6-9)16-11-10-2-3-20-12(10)18-13(15)17-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine?
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 370.66 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).