6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine

C15H14ClN3OS — CID 135380239

IUPAC6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2sccc2c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C15H14ClN3OS/c1-20-12-2-3-13-11(5-7-21-13)10(12)4-6-17-15-8-14(16)18-9-19-15/h2-3,5,7-9H,4,6H2,1H3,(H,17,18,19)
InChIKeyUAAQXIVFVSGCFO-UHFFFAOYSA-N
MW319.82 g/mol
LogP4.01
Rot. Bonds5

About 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine

6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 135380239) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine
PubChem CID135380239
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2sccc2c1CCNc1cc(Cl)ncn1
InChIInChI=1S/C15H14ClN3OS/c1-20-12-2-3-13-11(5-7-21-13)10(12)4-6-17-15-8-14(16)18-9-19-15/h2-3,5,7-9H,4,6H2,1H3,(H,17,18,19)
InChIKeyUAAQXIVFVSGCFO-UHFFFAOYSA-N
XLogP4.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-(5-methoxy-1,3-benzodioxol-4-yl)ethyl]pyrimidin-4-amine
CID 135380817
6-chloro-N-[2-(2-ethoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
CID 135380668
6-chloro-N-[2-(2-propoxynaphthalen-1-yl)ethyl]pyrimidin-4-amine
CID 135380074
1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]-8-fluoro-5-methoxynaphthalene-2-carbonitrile
CID 135380264
5-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]-1-benzothiophene-3-carbonitrile
CID 135380905
6-chloro-N-[2-[4-(difluoromethyl)-5-fluoro-2-methoxyphenyl]ethyl]pyrimidin-4-amine
CID 135381055
tert-butyl N-[2-(5-ethoxy-1-benzothiophen-4-yl)ethyl]carbamate
CID 142473089
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130839682
4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488
6-chloro-N-[2-(7-chloro-5-fluoro-2-methyl-1-benzothiophen-3-yl)ethyl]pyrimidin-4-amine
CID 150715184
N-[2-(5-chloro-7-methoxy-2-methyl-1-benzofuran-3-yl)ethyl]-6-(4-methylthiophen-2-yl)pyrimidin-4-amine
CID 175793588

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine (CID 135380239) is 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine is COc1ccc2sccc2c1CCNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is UAAQXIVFVSGCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-20-12-2-3-13-11(5-7-21-13)10(12)4-6-17-15-8-14(16)18-9-19-15/h2-3,5,7-9H,4,6H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine?
6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 319.82 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 135380239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).