7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

C15H17BrN4S — CID 106038847

IUPAC7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(CCc3ccc(Br)s3)c2n1
InChIInChI=1S/C15H17BrN4S/c1-8-9(2)20(7-6-11-4-5-12(16)21-11)15-13(8)14(17)18-10(3)19-15/h4-5H,6-7H2,1-3H3,(H2,17,18,19)
InChIKeyNBNFVYOMOGLENN-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.01
Rot. Bonds3

About 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 106038847) has the molecular formula C15H17BrN4S and a molecular weight of 365.30 g/mol. Its IUPAC name is 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID106038847
Molecular FormulaC15H17BrN4S
Molecular Weight365.30 g/mol
Exact Mass364.04
IUPAC Name7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(CCc3ccc(Br)s3)c2n1
InChIInChI=1S/C15H17BrN4S/c1-8-9(2)20(7-6-11-4-5-12(16)21-11)15-13(8)14(17)18-10(3)19-15/h4-5H,6-7H2,1-3H3,(H2,17,18,19)
InChIKeyNBNFVYOMOGLENN-UHFFFAOYSA-N
XLogP4.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 63823912
methyl 5-amino-1-[2-(5-bromothiophen-2-yl)ethyl]-2-methylimidazole-4-carboxylate
CID 106039173
2,5,6-trimethyl-7-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62991699
2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 106376159
7-(4-bromophenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43336972
2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 114957254
9-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypurin-8-amine
CID 106036150
7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337019
1-[2-(5-bromothiophen-2-yl)ethyl]-2-(chloromethyl)-5-methylbenzimidazole
CID 106038014
1-[2-(5-bromothiophen-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine
CID 106036159
1-[2-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylpyrrole-3-carbaldehyde
CID 106033321
2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 43159174

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 106038847) is 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(CCc3ccc(Br)s3)c2n1.
What is the InChIKey of 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NBNFVYOMOGLENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4S/c1-8-9(2)20(7-6-11-4-5-12(16)21-11)15-13(8)14(17)18-10(3)19-15/h4-5H,6-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 365.30 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106038847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).