5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C16H15BrN4 — CID 118024637

IUPAC5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2C1CCc2ccccc2C1
InChIInChI=1S/C16H15BrN4/c17-13-8-21(16-14(13)15(18)19-9-20-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2,(H2,18,19,20)
InChIKeyWXZXLTSTVKPGRC-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.51
Rot. Bonds1

About 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine

5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118024637) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118024637
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2C1CCc2ccccc2C1
InChIInChI=1S/C16H15BrN4/c17-13-8-21(16-14(13)15(18)19-9-20-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2,(H2,18,19,20)
InChIKeyWXZXLTSTVKPGRC-UHFFFAOYSA-N
XLogP3.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 164579497
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157493398
4-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexan-1-one
CID 118025751
4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine
CID 106569535
4-[3-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]benzaldehyde
CID 163239288
N'-[[3-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-N-(2-phenylethyl)propane-1,3-diamine
CID 167461823
3-amino-5-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 118025994
1-[4-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanone
CID 118025979
3-[4-amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118025680
2-methylpropyl 4-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
CID 67384385
[(2S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol;ethane
CID 145263983
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 118024637) is 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(Br)cn2C1CCc2ccccc2C1.
What is the InChIKey of 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WXZXLTSTVKPGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-13-8-21(16-14(13)15(18)19-9-20-16)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2,(H2,18,19,20).
What are the key properties of 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 343.23 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118024637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).